Cas no 742666-57-5 (methyl isoindoline-5-carboxylate)

methyl isoindoline-5-carboxylate structure
742666-57-5 structure
Product Name:methyl isoindoline-5-carboxylate
CAS No:742666-57-5
MF:C10H11NO2
MW:177.199842691422
MDL:MFCD08234861
CID:562826
PubChem ID:19828496
Update Time:2025-04-19

methyl isoindoline-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2,3-dihydro-1H-Isoindole-5-carboxylic acid methyl ester
    • 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-, methyl ester
    • methyl 2,3-dihydro-1H-isoindole-5-carboxylate
    • METHYL ISOINDOLINE-5-CARBOXYLATE
    • J-522611
    • FT-0657579
    • 2,3-dihydro-1-H-isoindole-5-carboxylic acid methyl ester
    • 742666-57-5
    • MFCD08234861
    • SB38532
    • SCHEMBL330093
    • C10H11NO2
    • A838078
    • RSBKALMWYNRSJK-UHFFFAOYSA-N
    • CS-0054219
    • AKOS006229498
    • DTXSID30600395
    • BS-13867
    • EN300-145650
    • N10514
    • methyl 2,3-dihydroisoindole-5-carboxylate
    • methyl isoindoline-5-carboxylate
    • MDL: MFCD08234861
    • Inchi: 1S/C10H11NO2/c1-13-10(12)7-2-3-8-5-11-6-9(8)4-7/h2-4,11H,5-6H2,1H3
    • InChI Key: RSBKALMWYNRSJK-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC2CNCC=2C=1)=O

Computed Properties

  • Exact Mass: 177.07900
  • Monoisotopic Mass: 177.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 205
  • 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
  • Topological Polar Surface Area: 38.3A^2
  • XLogP3: 0.7

Experimental Properties

  • Density: 1.162
  • Boiling Point: 303.311 °C at 760 mmHg
  • Flash Point: 137.238 °C
  • PSA: 38.33000
  • LogP: 1.40520

methyl isoindoline-5-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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