3-(acetyloxy)-2-methylbenzoic acid

3-(acetyloxy)-2-methylbenzoic acid

CAS: 168899-58-9

Formula: C10H10O4

SMILES: CC(=O)OC1=CC=CC(C(O)=O)=C1C

IUPAC: 3-(acetyloxy)-2-methylbenzoic acid

InChI: InChI=1S/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13)

Composition: C (61.85%), H (5.19%), O (32.96%)

Molar Mass: 194.186

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	194.057908802
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LHVJUPHCLWIPLZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.49
Topological Polar Surface Area	63.6
Polarizability	18.9
Ring Count	1
Rotatable Bond Count	3

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