3-methyl-2-phenylbutanoic acid

3-methyl-2-phenylbutanoic acid

CAS: 3508-94-9

Formula: C11H14O2

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

IUPAC: 3-methyl-2-phenylbutanoic acid

InChI: InChI=1/C11H14O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)

Composition: C (74.13%), H (7.92%), O (17.95%)

Molar Mass: 178.231

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	178.099379691
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HDLQGISFYDYWFJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.09
Topological Polar Surface Area	37.3
Polarizability	20.04
Ring Count	1
Rotatable Bond Count	3

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AA BLOCKS INC

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Key Organics Ltd

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95%	<2 Days	3508-94-9		$51.35-$409.69$51.35$63.37$86.31$180.26$409.69

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95%	<5 Days	3508-94-9		$34.05-$114.75$34.05$114.75