Cas no 658683-13-7 (2,3-Dihydro-1H-isoindole-4-carboxylic Acid)

2,3-Dihydro-1H-isoindole-4-carboxylic Acid structure
658683-13-7 structure
Product Name:2,3-Dihydro-1H-isoindole-4-carboxylic Acid
CAS No:658683-13-7
MF:C9H9NO2
MW:163.173262357712
MDL:MFCD11223556
CID:1031217
PubChem ID:10329608
Update Time:2025-04-20

2,3-Dihydro-1H-isoindole-4-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • Isoindoline-4-carboxylic acid
    • 2,3-Dihydro-1H-isoindole-4-carboxylic Acid
    • AKOS006308771
    • DTXSID30438135
    • DA-33510
    • SB38172
    • isoindoline-4-carboxylicacid
    • J-521546
    • CS-0270723
    • SCHEMBL1817879
    • YEJJKVAYXOGIIA-UHFFFAOYSA-N
    • 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-
    • EN300-102900
    • 658683-13-7
    • MDL: MFCD11223556
    • Inchi: 1S/C9H9NO2/c11-9(12)7-3-1-2-6-4-10-5-8(6)7/h1-3,10H,4-5H2,(H,11,12)
    • InChI Key: YEJJKVAYXOGIIA-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC2CNCC=21)=O

Computed Properties

  • Exact Mass: 163.06337
  • Monoisotopic Mass: 163.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 193
  • 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: -1.9
  • Topological Polar Surface Area: 49.3?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 340.5±42.0 °C at 760 mmHg
  • Flash Point: 159.7±27.9 °C
  • PSA: 49.33
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2,3-Dihydro-1H-isoindole-4-carboxylic Acid Security Information

2,3-Dihydro-1H-isoindole-4-carboxylic Acid Pricemore >>

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