Cas no 3578-47-0 (Propanedioic acid,2-nonyl-)

Propanedioic acid,2-nonyl- structure
Propanedioic acid,2-nonyl- structure
Product Name:Propanedioic acid,2-nonyl-
CAS No:3578-47-0
MF:C12H22O4
MW:230.300684452057
CID:309719
PubChem ID:4008497
Update Time:2025-04-19

Propanedioic acid,2-nonyl- Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-nonyl-
    • N-NONYLMALONIC ACID
    • 1-nonyl isothiocyanate
    • decane dicarboxylic acid
    • Isothiocyanic acid,nonyl ester
    • n-nonyl isothiocyanate
    • n-Nonyl-malonsaeure
    • Nonane,1-isothiocyanato
    • Nonylisothiocyanat
    • nonylisothiocyanate
    • nonyl-malonic acid
    • Nonyl-malonsaeure
    • Propanedioic acid, nonyl-
    • SCHEMBL110170
    • decanedicarboxylic
    • DTXSID30877000
    • FWQNYUYRXNWOOM-UHFFFAOYSA-N
    • 3578-47-0
    • Inchi： 1S/C12H22O4/c1-2-3-4-5-6-7-8-9-10(11(13)14)12(15)16/h10H,2-9H2,1H3,(H,13,14)(H,15,16)
    • InChI Key： FWQNYUYRXNWOOM-UHFFFAOYSA-N
    • SMILES： OC(C(C(=O)O)CCCCCCCCC)=O

Computed Properties

  • Exact Mass: 230.15200
  • Monoisotopic Mass: 230.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 10
  • Complexity: 199
  • 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: 3.7
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.064
  • Boiling Point: 389.7°C at 760 mmHg
  • Flash Point: 203.6°C
  • Refractive Index: 1.473
  • PSA: 74.60000
  • LogP: 2.91250

Propanedioic acid,2-nonyl- 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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