3-methoxy-5-methylbenzoic acid

3-methoxy-5-methylbenzoic acid

CAS: 62089-34-3

Formula: C9H10O3

SMILES: COC1=CC(C)=CC(=C1)C(O)=O

IUPAC: 3-methoxy-5-methylbenzoic acid

InChI: InChI=1S/C9H10O3/c1-6-3-7(9(10)11)5-8(4-6)12-2/h3-5H,1-2H3,(H,10,11)

Composition: C (65.05%), H (6.07%), O (28.88%)

Molar Mass: 166.176

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.062994182
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ALUKWQVSCATDLJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.82
Topological Polar Surface Area	46.53
Polarizability	16.95
Ring Count	1
Rotatable Bond Count	2

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