6-Hydroxy-2-cyclohexanone

6-Hydroxy-2-cyclohexanone
Compound Structure:
Synonyms: 6-hydroxy-2-cyclohexen-one-carboxylate;1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
Compound ID: NMPC-471
PubChem ID:

52940166
Molecular Formula: C7H7O4-
Canonical SMILES: C1CC(=O)C(C=C1)(C(=O)[O-])O
InChIKey: WEZWWZKUBQCMBL-UHFFFAOYSA-M
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

155.13 g/mol

XLogP3-AA

0.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

0

Exact Mass

155.03443370 g/mol

Monoisotopic Mass

155.03443370 g/mol

Topological Polar Surface Area

77.4Ų

Heavy Atom Count

11

Formal Charge

-1

Complexity

225

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Crassocephalum rubens
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