Cas no 34073-46-6 (methyl (2-hydroxyphenyl)(oxo)acetate)

methyl (2-hydroxyphenyl)(oxo)acetate structure
34073-46-6 structure
Product Name:methyl (2-hydroxyphenyl)(oxo)acetate
CAS No:34073-46-6
MF:C9H8O4
MW:180.157423019409
CID:1461988
PubChem ID:182159
Update Time:2025-04-20

methyl (2-hydroxyphenyl)(oxo)acetate Chemical and Physical Properties

Names and Identifiers

    • methyl (2-hydroxyphenyl)(oxo)acetate
    • methyl 2-(2-hydroxyphenyl)-2-oxoacetate
    • Methyl 2-Hydroxyphenylglyoxylate
    • 34073-46-6
    • SCHEMBL6747775
    • Benzeneacetic acid, 2-hydroxy-alpha-oxo-, methyl ester
    • DTXSID30955630
    • YXZAANSFGURKCL-UHFFFAOYSA-N
    • Methyl (2-hydroxyphenyl)glycoxylate
    • Inchi: 1S/C9H8O4/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,10H,1H3
    • InChI Key: YXZAANSFGURKCL-UHFFFAOYSA-N
    • SMILES: OC1C=CC=CC=1C(C(=O)OC)=O

Computed Properties

  • Exact Mass: 180.04224
  • Monoisotopic Mass: 180.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • PSA: 63.6
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