Cas no 54845-40-8 ( )

  structure
  structure
Product Name: 
CAS No:54845-40-8
MF:C10H12O4
MW:196.199883460999
CID:942943
PubChem ID:296017
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • methyl 2-hydroxy-2-(3-methoxyphenyl)acetate
    • α-Hydroxy-3-methoxybenzeneacetic acid methyl ester
    • AC1L6PFY
    • AG-F-91283
    • CTK5A2650
    • Methyl (+/-)-m-methoxymandelate
    • Methyl 2-(3-methoxyphenyl)glycolate
    • Methyl m-methoxymandelate
    • Methyl-m-methoxymandelate
    • NSC165788
    • SureCN2871628
    • SCHEMBL2871628
    • AKOS011495544
    • Methyl hydroxy(3-methoxyphenyl)acetate #
    • Benzeneacetic acid, .alpha.-hydroxy-3-methoxy-, methyl ester
    • Z965047556
    • methyl2-hydroxy-2-(3-methoxyphenyl)acetate
    • NSC-165788
    • DA-04973
    • alpha-Hydroxy-3-methoxybenzeneacetic acid methyl ester
    • EN300-266118
    • DTXSID20304436
    • 54845-40-8
    • A-Hydroxy-3-methoxybenzeneacetic acid methyl ester
    •  
    • Inchi: 1S/C10H12O4/c1-13-8-5-3-4-7(6-8)9(11)10(12)14-2/h3-6,9,11H,1-2H3
    • InChI Key: WTOMYBNSWGVPAH-UHFFFAOYSA-N
    • SMILES: OC(C(=O)OC)C1C=CC=C(C=1)OC

Computed Properties

  • Exact Mass: 196.07356
  • Monoisotopic Mass: 196.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 193
  • 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: 1.1
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76

  Pricemore >>

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