4H-pyran-4-one

4H-pyran-4-one
Compound Structure:
Synonyms: 4H-PYRAN-4-ONE;108-97-4;Pyran-4-one;gamma-Pyrone;4-Pyrone;.gamma.-Pyrone;4-oxo-4H-pyran;UJ7X07IM7Z;MFCD00006576;4-Pyranone;|A-Pyrone
Compound ID: NMPC-411
PubChem ID:

7968
Molecular Formula: C5H4O2
Canonical SMILES: C1=COC=CC1=O
InChIKey: CVQUWLDCFXOXEN-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

96.08 g/mol

XLogP3-AA

0.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

96.021129366 g/mol

Monoisotopic Mass

96.021129366 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

7

Formal Charge

0

Complexity

119

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Synepalum dulcificum
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