Cas no 697290-52-1 (2-Oxaspiro[4.4]nonan-3-one, 4-hydroxy-, (4S)- (9CI))

2-Oxaspiro[4.4]nonan-3-one, 4-hydroxy-, (4S)- (9CI) structure
697290-52-1 structure
Product Name:2-Oxaspiro[4.4]nonan-3-one, 4-hydroxy-, (4S)- (9CI)
CAS No:697290-52-1
MF:C8H12O3
MW:156.179082870483
CID:1019384
PubChem ID:45083168
Update Time:2025-04-20

2-Oxaspiro[4.4]nonan-3-one, 4-hydroxy-, (4S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Oxaspiro[4.4]nonan-3-one, 4-hydroxy-, (4S)- (9CI)
    • 2-Oxaspiro[4.4]Nonan-3-one, 4-Hydroxy-,(4s)-
    • (S)-4-Hydroxy-2-oxaspiro[4.4]nonan-3-one
    • 697290-52-1
    • Inchi: 1S/C8H12O3/c9-6-7(10)11-5-8(6)3-1-2-4-8/h6,9H,1-5H2/t6-/m1/s1
    • InChI Key: WKCZDDXNJWASQB-ZCFIWIBFSA-N
    • SMILES: O1C([C@H](C2(C1)CCCC2)O)=O

Computed Properties

  • Exact Mass: 156.079
  • Monoisotopic Mass: 156.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 182
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.5A^2
  • XLogP3: 1
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