Cas no 21168-40-1 (2-(Quinolin-3-yl)acetic acid)

2-(Quinolin-3-yl)acetic acid structure
2-(Quinolin-3-yl)acetic acid structure
Product Name:2-(Quinolin-3-yl)acetic acid
CAS No:21168-40-1
MF:C11H9NO2
MW:187.194662809372
MDL:MFCD03412554
CID:911235
PubChem ID:604482
Update Time:2025-04-19

2-(Quinolin-3-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Quinolin-3-yl)acetic acid
    • 2-quinolin-3-ylacetic acid
    • 3-Quinolineacetic acid
    • <3>Chinolyl-essigsaeure
    • 3-Quinolinylacetic acid
    • 3-quinolyl-acetic acid
    • Quinolin-3-acetic acid
    • quinolin-3-ylacetic acid
    • AKOS011683107
    • 21168-40-1
    • 2-(QUINOLIN-3-YL)ACETICACID
    • CS-0270308
    • SB68139
    • W-206600
    • 3-Quinolinylacetic acid #
    • Z982129790
    • F83433
    • DTXSID50345433
    • SCHEMBL3102896
    • EN300-77729
    • GQOJGBVTUSRBPQ-UHFFFAOYSA-N
    • quinoline-3-acetic acid
    • MDL: MFCD03412554
    • Inchi: 1S/C11H9NO2/c13-11(14)6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6H2,(H,13,14)
    • InChI Key: GQOJGBVTUSRBPQ-UHFFFAOYSA-N
    • SMILES: OC(CC1=CN=C2C=CC=CC2=C1)=O

Computed Properties

  • Exact Mass: 187.06300
  • Monoisotopic Mass: 187.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • 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: 1.6
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 201-203 °C
  • Boiling Point: 383.8±17.0 °C at 760 mmHg
  • Flash Point: 185.9±20.9 °C
  • Refractive Index: 1.66
  • PSA: 50.19000
  • LogP: 1.86190
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

2-(Quinolin-3-yl)acetic acid Security Information

2-(Quinolin-3-yl)acetic acid Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. 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:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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