4-acetyl-2-methylbenzoic acid

4-acetyl-2-methylbenzoic acid

CAS: 55860-35-0

Formula: C10H10O3

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

IUPAC: 4-acetyl-2-methylbenzoic acid

InChI: InChI=1S/C10H10O3/c1-6-5-8(7(2)11)3-4-9(6)10(12)13/h3-5H,1-2H3,(H,12,13)

Composition: C (67.41%), H (5.66%), O (26.94%)

Molar Mass: 178.187

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.062994182
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QGXDUDDPMXVLOO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.76
Topological Polar Surface Area	54.37
Polarizability	18.17
Ring Count	1
Rotatable Bond Count	2

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