5-oxo-5-(3-phenylpropoxy)pentanoic acid

5-oxo-5-(3-phenylpropoxy)pentanoic acid

CAS: 847480-87-9

Formula: C14H18O4

SMILES: OC(=O)CCCC(=O)OCCCC1=CC=CC=C1

IUPAC: 5-oxo-5-(3-phenylpropoxy)pentanoic acid

InChI: InChI=1S/C14H18O4/c15-13(16)9-4-10-14(17)18-11-5-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,16)

Composition: C (67.18%), H (7.25%), O (25.57%)

Molar Mass: 250.294

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.12050906
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FHZZJODNIQXLLC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.88
Topological Polar Surface Area	63.6
Polarizability	26.35
Ring Count	1
Rotatable Bond Count	9

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	847480-87-9		$212.83-$327.27$212.83$327.27