Cas no 18454-53-0 (Benzoic acid,2-[(1E)-2-carboxyethenyl]-)

Benzoic acid,2-[(1E)-2-carboxyethenyl]- structure
18454-53-0 structure
Product Name:Benzoic acid,2-[(1E)-2-carboxyethenyl]-
CAS No:18454-53-0
MF:C10H8O4
MW:192.168123245239
CID:123015
PubChem ID:904938
Update Time:2025-04-18

Benzoic acid,2-[(1E)-2-carboxyethenyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-[(1E)-2-carboxyethenyl]-
    • 2-(2-carboxyethenyl)benzoic acid
    • 2-[(E)-2-Carboxyethenyl]benzoic acid
    • 2-[(E)-2-Carboxyethenyl]benzoic acid #
    • VS-08540
    • trans-2-Carboxycinnamic acid
    • NSC 16636
    • NS00041640
    • AKOS004114662
    • NSC16636
    • 2-(2-Carboxyvinyl)benzoic acid
    • EINECS 210-308-9
    • 2-[(E)-2-carboxylatovinyl]benzoate
    • A833117
    • 2-[(1E)-2-carboxyeth-1-en-1-yl]benzoic acid
    • 18454-53-0
    • (E)-2-(2-carboxyvinyl)benzoic acid
    • NSC-16636
    • AE-641/01932048
    • Benzoic acid, 2-[(1E)-2-carboxyethenyl]-
    • CS-0454162
    • 2-[(E)-3-hydroxy-3-oxoprop-1-enyl]benzoic acid
    • 2-(2-carboxyvinyl)benzoicacid
    • 612-40-8
    • GEO-00639
    • 2-Carboxycinnamic acid, predominantly trans
    • SCWPNMHQRGNQHH-AATRIKPKSA-N
    • 2-carboxy cinnamic acid
    • 2-Carboxycinnamic acid
    • SCHEMBL28498
    • MFCD00004380
    • MDL： MFCD00004380
    • Inchi： 1S/C10H8O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-5+
    • InChI Key： SCWPNMHQRGNQHH-AATRIKPKSA-N
    • SMILES： OC(C1C=CC=CC=1/C=C/C(=O)O)=O

Computed Properties

  • Exact Mass: 192.04224
  • Monoisotopic Mass: 192.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 257
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6

Benzoic acid,2-[(1E)-2-carboxyethenyl]- Related Literature

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