3-[2-(acetyloxy)phenyl]propanoic acid

3-[2-(acetyloxy)phenyl]propanoic acid

CAS: 17123-74-9

Formula: C11H12O4

SMILES: CC(=O)OC1=CC=CC=C1CCC(O)=O

IUPAC: 3-[2-(acetyloxy)phenyl]propanoic acid

InChI: InChI=1S/C11H12O4/c1-8(12)15-10-5-3-2-4-9(10)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)

Composition: C (63.45%), H (5.81%), O (30.74%)

Molar Mass: 208.213

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.073558866
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MTAAFLMZZIYJHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.1
Topological Polar Surface Area	63.6
Polarizability	20.83
Ring Count	1
Rotatable Bond Count	5

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