2-Oxo-2-phenylethyl-3-methylbenzoate

2-Oxo-2-phenylethyl-3-methylbenzoate
Compound Structure:
Synonyms: 2-Oxo-2-phenylethyl 3-methylbenzoate;55153-20-3;Benzoic acid, 3-methyl-, 2-oxo-2-phenylethyl ester; 2-Oxo-2-phenylethyl 3-methylbenzoate
Compound ID: NMPC-278
PubChem ID:

570678
Molecular Formula: C16H14O3
Canonical SMILES: CC1=CC(=CC=C1)C(=O)OCC(=O)C2=CC=CC=C2
InChIKey: YWTZIPIBXULXBW-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

 

Property Name

Property Value

Molecular Weight

254.28 g/mol

XLogP3-AA

3.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

5

Exact Mass

254.094294304 g/mol

Monoisotopic Mass

254.094294304 g/mol

Topological Polar Surface Area

43.4Ų

Heavy Atom Count

19

Formal Charge

0

Complexity

318

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: Scleria depressa
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