methyl 3-(4-chlorophenyl)-3-oxopropanoate

methyl 3-(4-chlorophenyl)-3-oxopropanoate

CAS: 22027-53-8

Formula: C10H9ClO3

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

IUPAC: methyl 3-(4-chlorophenyl)-3-oxopropanoate

InChI: InChI=1S/C10H9ClO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3

Composition: C (56.49%), H (4.27%), Cl (16.67%), O (22.57%)

Molar Mass: 212.63

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.0240218
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OIPOJEDRCKVDJK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.38
Topological Polar Surface Area	43.37
Polarizability	20.43
Ring Count	1
Rotatable Bond Count	4

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