Cas no 588688-44-2 (3-Methyl-1H-indole-5-carboxylic acid)

3-Methyl-1H-indole-5-carboxylic acid structure
588688-44-2 structure
Product Name:3-Methyl-1H-indole-5-carboxylic acid
CAS No:588688-44-2
MF:C10H9NO2
MW:175.183962583542
MDL:MFCD11052228
CID:1027508
PubChem ID:17028229
Update Time:2025-04-20

3-Methyl-1H-indole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-1H-indole-5-carboxylic acid
    • 1H-Indole-5-carboxylic acid, 3-methyl-
    • 3-methylindole-5-carboxylic acid
    • 3-Methyl-1H-indole-5-carboxylicacid
    • FCH887752
    • STK927801
    • SB14940
    • RP02907
    • AM804097
    • AX8195991
    • ST50532383
    • BB 0259988
    • Y9555
    • 588688-44-2
    • TS-02417
    • SY101611
    • CS-W006547
    • J-512821
    • AKOS000739248
    • SCHEMBL2610249
    • A869345
    • MFCD11052228
    • DTXSID80588699
    • MDL： MFCD11052228
    • Inchi： 1S/C10H9NO2/c1-6-5-11-9-3-2-7(10(12)13)4-8(6)9/h2-5,11H,1H3,(H,12,13)
    • InChI Key： NZUSFHSAVRYCPU-UHFFFAOYSA-N
    • SMILES： OC(C1C=CC2=C(C=1)C(C)=CN2)=O

Computed Properties

  • Exact Mass: 175.06300
  • Monoisotopic Mass: 175.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • 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: 2.1
  • Topological Polar Surface Area: 53.1

Experimental Properties

  • Density: 1.340±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 416.9±25.0°C at 760 mmHg
  • Solubility: Slightly soluble (1.5 g/l) (25 o C),
  • PSA: 53.09000
  • LogP: 2.17450

3-Methyl-1H-indole-5-carboxylic acid Security Information

3-Methyl-1H-indole-5-carboxylic acid 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%

3-Methyl-1H-indole-5-carboxylic acid Pricemore >>

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