2-(4-iodophenoxy)propanoic acid

2-(4-iodophenoxy)propanoic acid

CAS: 10442-48-5

Formula: C9H9IO3

SMILES: CC(OC1=CC=C(I)C=C1)C(O)=O

IUPAC: 2-(4-iodophenoxy)propanoic acid

InChI: InChI=1/C9H9IO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)

Composition: C (37.01%), H (3.11%), I (43.45%), O (16.43%)

Molar Mass: 292.072

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	291.95964
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ITUIVIPEOVLCML-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.46
Topological Polar Surface Area	46.53
Polarizability	22.35
Ring Count	1
Rotatable Bond Count	3

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