2-(4-pentylphenyl)acetic acid

2-(4-pentylphenyl)acetic acid

CAS: 14377-21-0

Formula: C13H18O2

SMILES: CCCCCC1=CC=C(CC(O)=O)C=C1

IUPAC: 2-(4-pentylphenyl)acetic acid

InChI: InChI=1S/C13H18O2/c1-2-3-4-5-11-6-8-12(9-7-11)10-13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)

Composition: C (75.69%), H (8.80%), O (15.51%)

Molar Mass: 206.285

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	206.13067982
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YAAVVJAWWNQMCY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.81
Topological Polar Surface Area	37.3
Polarizability	23.65
Ring Count	1
Rotatable Bond Count	6

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Key Organics Ltd

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98%	<2 Days	14377-21-0		$51.35-$210.85$51.35$54.63$63.37$86.31$136.56$210.85

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AA BLOCKS INC

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98%	<6 Days	14377-21-0		$25.30-$108.10$25.30$46.00$108.10

LabNetwork INC

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95%	1 Day	14377-21-0		$641.25$641.25