Cas no 53587-34-1 ((±)-4-Hydroxy-3-methoxymandelic-α-d1 Acid)

(±)-4-Hydroxy-3-methoxymandelic-α-d1 Acid structure
53587-34-1 structure
Product Name:(±)-4-Hydroxy-3-methoxymandelic-α-d1 Acid
CAS No:53587-34-1
MF:C9H10O5
MW:198.172703266144
CID:938773
PubChem ID:1245
Update Time:2025-04-19

(±)-4-Hydroxy-3-methoxymandelic-α-d1 Acid Chemical and Physical Properties

Names and Identifiers

    • dl-4-hydroxy-3-methoxymandelic-2-d1 acid
    • (±)-4-HYDROXY-3-METHOXYMANDELIC-2-D1 ACID
    • 2-desoxoparaherquamide A
    • 2-Deutero-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-essigsaeure
    • CHEMBL2103805
    • D09399
    • UNII-0L0UGK6OOX
    • H 0131
    • EN300-1868166
    • VMA
    • NCGC00093978-01
    • H-6500
    • NS00015078
    • S6613
    • NCGC00093978-03
    • NCGC00015492-05
    • STL558222
    • (+/-)-VANILMANDELIC ACID
    • SR-01000075241-1
    • Benzeneacetic acid, a,4-dihydroxy-3-methoxy-, (+/-)-
    • Vanillomandelic acid
    • SR-01000075241
    • HMS3371D20
    • Oprea1_553862
    • (+/-)-Vanillylmandelic acid
    • Benzeneacetic acid, a,4-dihydroxy-3-methoxy-, (A+/-)-
    • EINECS 200-224-0
    • MFCD00004235
    • DL-4-Hydroxy-3-methoxymandelic acid, analytical standard
    • Vanillylmandelic acid
    • 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
    • dl-3-Methoxy-4-hydroxymandelic acid
    • Q901369
    • Benzeneacetic acid, alpha,4-dihydroxy-3-methoxy-
    • HMS3261J06
    • NCGC00015492-04
    • CHEBI:20106
    • Vanillinmandelic Acid
    • AKOS015851906
    • NCGC00015492-03
    • 4'-Hydroxy-3'-methoxymandelic acid
    • SCHEMBL10085823
    • 4-Hydroxy-3-methoxy-DL-mandelic acid;2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)acetic acid
    • NCGC00015492-02
    • (4-Hydroxy-3-methoxyphenyl)glycolic acid
    • Lopac0_000602
    • AS-62192
    • SCHEMBL134326
    • (?)-Vanillylmandelic acid
    • VANILMANDELIC ACID [MI]
    • ( inverted question mark)-4-Hydroxy-3-methoxymandelic acid
    • 2-(4-Hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
    • Tox21_500602
    • 53587-34-1
    • DL-vanillylmandelic acid
    • DL-4-Hydroxy-3-methoxymandelicacid
    • NCGC00015492-07
    • H0268
    • DB-349286
    • Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid #
    • Mandelic acid, 4-hydroxy-3-methoxy-
    • Vanillylmandelic acid; VMA
    • NCGC00093978-02
    • 4-Hydroxy-3-methoxy-DL-mandelic acid
    • dl-.alpha.,4-Dihydroxy-3-methoxyphenylacetic acid
    • A817001
    • Vanilmandelic acid
    • DCD57880-FBEE-4ED4-A834-92387D266E8A
    • CHEMBL1256396
    • HY-113121
    • LP00602
    • 0DQI268449
    • EU-0100602
    • 3-Methoxy-4-hydroxymandelate
    • 2-(4'-Hydroxy-3'-methoxyphenyl) 2-hydroxyethanoic acid
    • CS-0059631
    • (.+/-.)-Vanilmandelic acid
    • (y)-Vanillylmandelic acid
    • ( inverted question mark)-Vanillylmandelic acid
    • DL-vanillomandelic acid
    • 4-HYDROXY-3-METHOXYMANDELIC ACID
    • Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid
    • DB-071947
    • Vanillomandelc acid
    • FEMA NO. 4660
    • D90829
    • DL-4-Hydroxy-3-methoxymandelic acid, >=98% (TLC), powder
    • MLS002153465
    • 55-10-7
    • (+/-)-3-METHOXY-4-HYDROXYMANDELIC ACID
    • C05584
    • CCG-204691
    • 2394-20-9
    • BCP33203
    • DL-4-HYDROXY-3-METHOXYMANDELIC ACID (DL-VANILLYLMANDELIC ACID)
    • 3-methoxy-4-hydroxymandelic acid
    • Benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy-
    • GTPL6645
    • NCGC00261287-01
    • UNII-0DQI268449
    • SDCCGSBI-0050584.P002
    • HMS2235H06
    • 3-Methoxy-4-hydroxyphenylhydroxyacetic acid
    • DTXSID10861583
    • 4-hydroxy-3-methoxyphenylglycolic acid
    • SMR001230822
    • dl-4-Hydroxy-3-methoxymandelic acid
    • (±)-4-Hydroxy-3-methoxymandelic-α-d1 Acid
    • Inchi: 1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
    • InChI Key: CGQCWMIAEPEHNQ-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C=CC(=C1)C(C(=O)O)O)O

Computed Properties

  • Exact Mass: 198.05282342g/mol
  • Monoisotopic Mass: 198.05282342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 205
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.2
  • Topological Polar Surface Area: 87?2

(±)-4-Hydroxy-3-methoxymandelic-α-d1 Acid Pricemore >>

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