Cas no 626205-17-2 (1H-Isoindole-4-carboxylic acid, 2-cyclohexyl-2,3-dihydro-3-oxo-)

1H-Isoindole-4-carboxylic acid, 2-cyclohexyl-2,3-dihydro-3-oxo- structure
626205-17-2 structure
Product Name:1H-Isoindole-4-carboxylic acid, 2-cyclohexyl-2,3-dihydro-3-oxo-
CAS No:626205-17-2
MF:C15H17NO3
MW:259.300384283066
MDL:MFCD03701705
CID:437743
PubChem ID:783733
Update Time:2025-04-19

1H-Isoindole-4-carboxylic acid, 2-cyclohexyl-2,3-dihydro-3-oxo- Chemical and Physical Properties

Names and Identifiers

    • 1H-Isoindole-4-carboxylic acid, 2-cyclohexyl-2,3-dihydro-3-oxo-
    • 2-cyclohexyl-3-oxo-1H-isoindole-4-carboxylic acid
    • 2-CYCLOHEXYL-3-OXO-2,3-DIHYDRO-1 H-ISOINDOLE-4-CARBOXYLIC ACID
    • 626205-17-2
    • HMS1554D12
    • 2-cyclohexyl-3-oxoisoindoline-4-carboxylicacid
    • HMS3440D13
    • SMR000097553
    • CS-0359205
    • 2-Cyclohexyl-3-oxo-4-isoindolinecarboxylic acid, AldrichCPR
    • MLS000120711
    • 2-cyclohexyl-3-oxoisoindoline-4-carboxylic acid
    • CHEMBL1456619
    • SCHEMBL834012
    • HMS2242I12
    • TimTec1_007118
    • 2-Cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
    • AKOS000300281
    • SB64870
    • DTXSID50354823
    • MDL: MFCD03701705
    • Inchi: 1S/C15H17NO3/c17-14-13-10(5-4-8-12(13)15(18)19)9-16(14)11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7,9H2,(H,18,19)
    • InChI Key: XYKKADDSCIPBOO-UHFFFAOYSA-N
    • SMILES: O=C1C2C(C(=O)O)=CC=CC=2CN1C1CCCCC1

Computed Properties

  • Exact Mass: 259.12091
  • Monoisotopic Mass: 259.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 376
  • 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: 2.3
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • PSA: 57.61

1H-Isoindole-4-carboxylic acid, 2-cyclohexyl-2,3-dihydro-3-oxo- Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

1H-Isoindole-4-carboxylic acid, 2-cyclohexyl-2,3-dihydro-3-oxo- Pricemore >>

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