4-(4-Hydroxyphenyl)-but-3-en-2-one

4-(4-Hydroxyphenyl)-but-3-en-2-one
Compound Structure:
Synonyms: but-3-en-2-one;(E)-4-(4-hydroxyphenyl)but-3-en-2-one;SCHEMBL1226323
Compound ID: NMPC-390
PubChem ID:

66955279
Molecular Formula: C14H16O3
Canonical SMILES: CC(=O)C=C.CC(=O)C=CC1=CC=C(C=C1)O
InChIKey: UEORHKOACIDJEM-SQQVDAMQSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

232.27 g/mol

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

3

Exact Mass

232.109944368 g/mol

Monoisotopic Mass

232.109944368 g/mol

Topological Polar Surface Area

54.4Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

231

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

2

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Landolphia owariensis
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