4-oxo-4-(2-phenylethoxy)butanoic acid

4-oxo-4-(2-phenylethoxy)butanoic acid

CAS: 153824-41-0

Formula: C12H14O4

SMILES: OC(=O)CCC(=O)OCCC1=CC=CC=C1

IUPAC: 4-oxo-4-(2-phenylethoxy)butanoic acid

InChI: InChI=1S/C12H14O4/c13-11(14)6-7-12(15)16-9-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)

Composition: C (64.85%), H (6.35%), O (28.80%)

Molar Mass: 222.24

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.089208931
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IRVZRNOWHCEDRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.67
Topological Polar Surface Area	63.6
Polarizability	22.68
Ring Count	1
Rotatable Bond Count	7

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