Cas no 71338-71-1 (benzyl (2E)-but-2-enoate)

benzyl (2E)-but-2-enoate structure
benzyl (2E)-but-2-enoate structure
Product Name:benzyl (2E)-but-2-enoate
CAS No:71338-71-1
MF:C11H12O2
MW:176.211783409119
CID:577726
PubChem ID:5356259
Update Time:2025-04-19

benzyl (2E)-but-2-enoate Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,phenylmethyl ester, (2E)-
    • Crotonic acid benzyl ester
    • 2-Butenoicacid, phenylmethyl ester, (E)-
    • Benzyl (E)-2-butenoate
    • Benzyl (E)-crotonate
    • Benzyl trans-crotonate
    • benzyl (2E)-but-2-enoate
    • W15659
    • Q27282395
    • AI3-04112
    • InChI=1/C11H12O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h2-8H,9H2,1H3/b6-2+
    • NCPTYZLUYHXITE-QHHAFSJGSA-
    • UNII-IIG3KVS651
    • Benzyl (2E)-2-butenoate #
    • NSC 53951
    • AKOS006241251
    • NSC-53951
    • EINECS 265-764-1
    • Benzylbut-2-enoate
    • (E)-benzyl crotonate
    • W18720
    • Benzyl crotonate, (E)-
    • KRO4207GE6
    • UNII-KRO4207GE6
    • CS-0046880
    • EN300-1696941
    • benzyl (E)-but-2-enoate
    • BenzylCrotonate
    • Phenylmethyl (2E)-2-butenoate
    • Benzyl crotonate
    • Benzyl(2E)-but-2-enoate
    • NSC53951
    • MFCD00053764
    • phenylmethyl (E)-but-2-enoate
    • (E)-benzyl but-2-enoate
    • 71338-71-1
    • SCHEMBL1070426
    • DTXSID10887884
    • DB-418724
    • 2-Butenoic acid, phenylmethyl ester, (2E)-
    • IIG3KVS651
    • WS-00524
    • SCHEMBL1070423
    • DB-369868
    • Inchi: 1S/C11H12O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h2-8H,9H2,1H3/b6-2+
    • InChI Key: NCPTYZLUYHXITE-QHHAFSJGSA-N
    • SMILES: O(C(/C=C/C)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 176.08376
  • Monoisotopic Mass: 176.08373
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 179
  • 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: 2.8
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.043
  • Boiling Point: 250.7°Cat760mmHg
  • Flash Point: 128.2°C
  • PSA: 26.3

benzyl (2E)-but-2-enoate Pricemore >>

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