Cas no 78281-84-2 (Benzeneacetic acid, 2-[[4-(carboxymethyl)phenyl]methyl]-)

Benzeneacetic acid, 2-[[4-(carboxymethyl)phenyl]methyl]- structure
78281-84-2 structure
Product Name:Benzeneacetic acid, 2-[[4-(carboxymethyl)phenyl]methyl]-
CAS No:78281-84-2
MF:C17H16O4
MW:284.306545257568
CID:534777
PubChem ID:12740020
Update Time:2025-04-19

Benzeneacetic acid, 2-[[4-(carboxymethyl)phenyl]methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, 2-[[4-(carboxymethyl)phenyl]methyl]-
    • 2-[4-[[2-(carboxymethyl)phenyl]methyl]phenyl]acetic acid
    • DTXSID60508618
    • SCHEMBL11148562
    • 2-(4-carboxymethylbenzyl)phenylacetic acid
    • 78281-84-2
    • HMMHFPSKHKAPQP-UHFFFAOYSA-N
    • (2-{[4-(Carboxymethyl)phenyl]methyl}phenyl)acetic acid
    • Inchi: 1S/C17H16O4/c18-16(19)10-13-7-5-12(6-8-13)9-14-3-1-2-4-15(14)11-17(20)21/h1-8H,9-11H2,(H,18,19)(H,20,21)
    • InChI Key: HMMHFPSKHKAPQP-UHFFFAOYSA-N
    • SMILES: OC(CC1C=CC=CC=1CC1C=CC(CC(=O)O)=CC=1)=O

Computed Properties

  • Exact Mass: 284.10485899g/mol
  • Monoisotopic Mass: 284.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 358
  • 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: 2.8
  • Topological Polar Surface Area: 74.6?2
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