4-[(4-hydroxybutoxy)carbonyl]benzoic acid

4-[(4-hydroxybutoxy)carbonyl]benzoic acid

CAS: 63317-89-5

Formula: C12H14O5

SMILES: OCCCCOC(=O)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-[(4-hydroxybutoxy)carbonyl]benzoic acid

InChI: InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)

Composition: C (60.50%), H (5.92%), O (33.58%)

Molar Mass: 238.239

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.084123551
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QOBMQTZOKFYGNH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.14
Topological Polar Surface Area	83.83
Polarizability	23.29
Ring Count	1
Rotatable Bond Count	7

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97%	<14 Days	63317-89-5		$71.40-$2,245.02$71.40$210.12$348.84$692.58$1,246.44$2,245.02