Cas no 22104-69-4 (2-Heptenoic acid,methyl ester)

2-Heptenoic acid,methyl ester structure
2-Heptenoic acid,methyl ester structure
Product Name:2-Heptenoic acid,methyl ester
CAS No:22104-69-4
MF:C8H14O2
MW:142.195562839508
CID:250441
PubChem ID:5368087
Update Time:2025-04-19

2-Heptenoic acid,methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Heptenoic acid,methyl ester
    • methyl-2-heptenoate
    • 2-Heptenoic acid, methyl ester, (2E)-
    • LMFA07010941
    • 22104-69-4
    • CHEBI:180288
    • SCHEMBL264932
    • methyl (E)-hept-2-enoate
    • methyl heptenoate
    • 2-Heptenoic acid, methyl ester
    • IQQDLHGWGKEQDS-VOTSOKGWSA-N
    • 38693-91-3
    • AKOS006273801
    • Methyl (2E)-2-heptenoate #
    • METHYL (2E)-HEPT-2-ENOATE
    • Q63408923
    • methyl 2-heptenoate
    • Inchi： 1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h6-7H,3-5H2,1-2H3/b7-6+
    • InChI Key： IQQDLHGWGKEQDS-VOTSOKGWSA-N
    • SMILES： O(C)C(/C=C/CCCC)=O

Computed Properties

  • Exact Mass: 142.09900
  • Monoisotopic Mass: 142.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 116
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2.5
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.30000
  • LogP: 1.90580

2-Heptenoic acid,methyl ester Customs Data

  • HS CODE：2916190090
  • Customs Data：

    China Customs Code:

    2916190090

    Overview:

    2916190090 Other unsaturated acyclic monocarboxylic acids(Including its anhydride\Acyl halide,Peroxides and peroxyacids and their derivatives).Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

2-Heptenoic acid,methyl ester Related Literature

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