Cas no 1906-96-3 (Propanedioic acid,2-(4-penten-1-yl)-, 1,3-diethyl ester)

Propanedioic acid,2-(4-penten-1-yl)-, 1,3-diethyl ester structure
1906-96-3 structure
Product Name:Propanedioic acid,2-(4-penten-1-yl)-, 1,3-diethyl ester
CAS No:1906-96-3
MF:C12H20O4
MW:228.284804344177
CID:118201
PubChem ID:361718
Update Time:2025-04-18

Propanedioic acid,2-(4-penten-1-yl)-, 1,3-diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-(4-penten-1-yl)-, 1,3-diethyl ester
    • diethyl 2-pent-4-enylpropanedioate
    • DIETHYL 4-PENTENYLMALONATE
    • diethyl hex-5-ene-1,1-dicarboxylate
    • diethyl pent-4-enylmalonate
    • pent-4-enyl-malonic acid diethyl ester
    • 1906-96-3
    • DTXSID10326980
    • diethyl (4-pentenyl)malonate
    • diethyl 2-(pent-4-enyl)malonate
    • diethyl (4-pentenyl)-malonate
    • 2-Pent-4-enyl-malonic acid diethyl ester
    • SCHEMBL2207325
    • NSC-624962
    • Diethyl 2-(pent-4-en-1-yl)malonate
    • Diethyl 2-(4-pentenyl)malonate
    • AKOS017549511
    • NLEHEDAAFLLABZ-UHFFFAOYSA-N
    • NSC624962
    • Inchi: 1S/C12H20O4/c1-4-7-8-9-10(11(13)15-5-2)12(14)16-6-3/h4,10H,1,5-9H2,2-3H3
    • InChI Key: NLEHEDAAFLLABZ-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(=O)OCC)CCCC=C)=O

Computed Properties

  • Exact Mass: 228.13600
  • Monoisotopic Mass: 228.13615911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 10
  • Complexity: 217
  • 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: 2.9
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.60000
  • LogP: 2.08510

Propanedioic acid,2-(4-penten-1-yl)-, 1,3-diethyl ester Customs Data

  • HS CODE:2917190090
  • Customs Data:

    China Customs Code:

    2917190090

    Overview:

    2917190090 Other acyclic polycarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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