methyl 3-oxo-4-phenylbutanoate

methyl 3-oxo-4-phenylbutanoate

CAS: 37779-49-0

Formula: C11H12O3

SMILES: COC(=O)CC(=O)CC1=CC=CC=C1

IUPAC: methyl 3-oxo-4-phenylbutanoate

InChI: InChI=1S/C11H12O3/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

Composition: C (68.74%), H (6.29%), O (24.97%)

Molar Mass: 192.214

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.078644246
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DTMSEOVTDVSPDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.03
Topological Polar Surface Area	43.37
Polarizability	20.37
Ring Count	1
Rotatable Bond Count	5

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