Cas no 33230-32-9 (4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxylic acid)

4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxylic acid structure
33230-32-9 structure
Product Name:4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxylic acid
CAS No:33230-32-9
MF:C9H11NO3
MW:181.188542604446
MDL:MFCD04969900
CID:852228
PubChem ID:7017673
Update Time:2025-04-19

4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic acid
    • 5,6,7,8-Tetrahydro-4H-cyclohepta< d> isoxazol-3-carbonsaeure
    • ALBB-009778
    • BB_SC-6292
    • BBL011814
    • CTK4H0229
    • SBB017984
    • STK347000
    • 4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxylic acid
    • Z339274916
    • SCHEMBL20507181
    • AS-44065
    • 33230-32-9
    • 5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylicacid
    • CS-0217755
    • 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxylic acid
    • AKOS000273640
    • EN300-83721
    • DTXSID20426900
    • 5,6,7,8-TETRAHYDRO-4 H-CYCLOHEPTA[ D ]ISOXAZOLE-3-CARBOXYLIC ACID
    • MFCD04969900
    • MDL: MFCD04969900
    • Inchi: 1S/C9H11NO3/c11-9(12)8-6-4-2-1-3-5-7(6)13-10-8/h1-5H2,(H,11,12)
    • InChI Key: IOXIIOUTRNRNQM-UHFFFAOYSA-N
    • SMILES: O1C2=C(C(C(=O)O)=N1)CCCCC2

Computed Properties

  • Exact Mass: 181.07389321g/mol
  • Monoisotopic Mass: 181.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 207
  • 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
  • Topological Polar Surface Area: 63.3?2

4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxylic acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carboxylic acid Pricemore >>

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Chemenu
CM308053-1g
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abcr
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