4-methoxy-3,5-dimethylbenzoic acid

4-methoxy-3,5-dimethylbenzoic acid

CAS: 21553-46-8

Formula: C10H12O3

SMILES: COC1=C(C)C=C(C=C1C)C(O)=O

IUPAC: 4-methoxy-3,5-dimethylbenzoic acid

InChI: InChI=1S/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12)

Composition: C (66.65%), H (6.71%), O (26.63%)

Molar Mass: 180.203

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.078644246
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WXVQURJGDUNJCS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.86
Topological Polar Surface Area	46.53
Polarizability	18.71
Ring Count	1
Rotatable Bond Count	2

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