methyl 4-(4-chlorophenyl)-4-oxobut-2-enoate

methyl 4-(4-chlorophenyl)-4-oxobut-2-enoate

CAS: 32149-26-1

Formula: C11H9ClO3

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

IUPAC: methyl 4-(4-chlorophenyl)-4-oxobut-2-enoate

InChI: InChI=1S/C11H9ClO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-7H,1H3

Composition: C (58.81%), H (4.04%), Cl (15.78%), O (21.37%)

Molar Mass: 224.64

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.0240218
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WKRNZICCAQRRLP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58
Topological Polar Surface Area	43.37
Polarizability	22.02
Ring Count	1
Rotatable Bond Count	4

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