5-(4-chlorophenyl)-5-oxopentanoic acid

5-(4-chlorophenyl)-5-oxopentanoic acid

CAS: 36978-49-1

Formula: C11H11ClO3

SMILES: OC(=O)CCCC(=O)C1=CC=C(Cl)C=C1

IUPAC: 5-(4-chlorophenyl)-5-oxopentanoic acid

InChI: InChI=1S/C11H11ClO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15)

Composition: C (58.29%), H (4.89%), Cl (15.64%), O (21.18%)

Molar Mass: 226.66

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.0396719
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BVLILROMUFYKGH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.76
Topological Polar Surface Area	54.37
Polarizability	22.02
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	36978-49-1		$52.96-$129.88$52.96$129.88