3-(4-chlorophenoxy)propanoic acid

3-(4-chlorophenoxy)propanoic acid

CAS: 3284-79-5

Formula: C9H9ClO3

SMILES: OC(=O)CCOC1=CC=C(Cl)C=C1

IUPAC: 3-(4-chlorophenoxy)propanoic acid

InChI: InChI=1S/C9H9ClO3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)

Composition: C (53.88%), H (4.52%), Cl (17.67%), O (23.92%)

Molar Mass: 200.62

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.0240218
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OWHJDUCBLVMRBJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.11
Topological Polar Surface Area	46.53
Polarizability	18.97
Ring Count	1
Rotatable Bond Count	4

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