Cas no 21147-23-9 (Benzoic acid,2-(4-hydroxybenzoyl)-, methyl ester)

Benzoic acid,2-(4-hydroxybenzoyl)-, methyl ester structure
21147-23-9 structure
Product Name:Benzoic acid,2-(4-hydroxybenzoyl)-, methyl ester
CAS No:21147-23-9
MF:C15H12O4
MW:256.253384590149
CID:242004
PubChem ID:53422896
Update Time:2024-10-31

Benzoic acid,2-(4-hydroxybenzoyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-(4-hydroxybenzoyl)-, methyl ester
    • 2-(4-Hydroxy-benzoyl)-benzoesaeure-methylester
    • 2-(4-Hydroxybenzoyl)benzoicacid methyl ester
    • 2,4-DIMETHOXY-4HYDROXYBENZOPHENONE
    • 2-Carbomethoxy-4'-hydroxybenzophenone
    • AG-E-55157
    • Benzoicacid, o-(p-hydroxybenzoyl)-, methyl ester (8CI)
    • CTK4E5966
    • KB-225
    • Methyl 2-(4'-hydroxybenzoyl)benzoate
    • Methyl2-(4-hydroxybenzoyl)benzoate
    • SureCN6893300
    • 2-(4-Hydroxybenzoyl)benzoic acid methyl ester
    • Benzoic acid, 2-(4-hydroxybenzoyl)-, methyl ester
    • methyl 2-[(4-hydroxyphenyl)carbonyl]benzoate
    • Pitofenone hydrochloride IHS Impurity B
    • Impurity MeKHBB
    • Methyl 2-(4-hydroxybenzoyl)benzoate
    • (4-Hydroxy-2,4-dimethoxycyclohexa-1,5-dien-1-yl)(phenyl)methanone
    • DTXSID30698171
    • 21147-23-9
    • SCHEMBL6893300
    • (4-hydroxy-2,4-dimethoxycyclohexa-1,5-dien-1-yl)-phenylmethanone
    • 4-BENZOYL-1,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-OL
    • Inchi: 1S/C15H12O4/c1-19-15(18)13-5-3-2-4-12(13)14(17)10-6-8-11(16)9-7-10/h2-9,16H,1H3
    • InChI Key: IKMDAJBBMNDKJY-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)C1=CC=CC=C1C(=O)C1=CC=C(O)C=C1

Computed Properties

  • Exact Mass: 256.07356
  • Monoisotopic Mass: 260.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 404
  • 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: 1.6
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • Density: 1.256±0.06 g/cm3(Predicted)
  • Boiling Point: 415.4±25.0 °C(Predicted)
  • PSA: 63.6
  • LogP: 2.64040
  • pka: 7.60±0.15(Predicted)

Benzoic acid,2-(4-hydroxybenzoyl)-, methyl ester Pricemore >>

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