Acropyrone

Acropyrone
Compound Structure:
Synonyms: Acropyrone;AKOS040735653;1613031-09-6
Compound ID: NMPC-554
PubChem ID:

102367304
Molecular Formula: C11H12O5
Canonical SMILES: CC1=C(C=C(OC1=O)C(=CC(=O)O)C)OC
InChIKey: OJWKRUWDYCFIHI-GQCTYLIASA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

224.21 g/mol

XLogP3-AA

1.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

3

Exact Mass

224.06847348 g/mol

Monoisotopic Mass

224.06847348 g/mol

Topological Polar Surface Area

72.8Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

426

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Euphorbia hirta
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