methyl 3-(2-oxoethyl)benzoate

methyl 3-(2-oxoethyl)benzoate

CAS: 124038-37-5

Formula: C10H10O3

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

IUPAC: methyl 3-(2-oxoethyl)benzoate

InChI: InChI=1S/C10H10O3/c1-13-10(12)9-4-2-3-8(7-9)5-6-11/h2-4,6-7H,5H2,1H3

Composition: C (67.41%), H (5.66%), O (26.94%)

Molar Mass: 178.187

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.062994182
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZECXBDQLXINILP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.47
Topological Polar Surface Area	43.37
Polarizability	18.51
Ring Count	1
Rotatable Bond Count	4

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