3-(4-acetylphenyl)propanoic acid

3-(4-acetylphenyl)propanoic acid

CAS: 39105-51-6

Formula: C11H12O3

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

IUPAC: 3-(4-acetylphenyl)propanoic acid

InChI: InChI=1S/C11H12O3/c1-8(12)10-5-2-9(3-6-10)4-7-11(13)14/h2-3,5-6H,4,7H2,1H3,(H,13,14)

Composition: C (68.74%), H (6.29%), O (24.97%)

Molar Mass: 192.214

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.078644246
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LALDELVQASOQTB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.37
Topological Polar Surface Area	54.37
Polarizability	20.1
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	39105-51-6		$109.40-$285.18$109.40$153.34$285.18

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