2-hydroxy-4-methoxy-3-methylbenzoic acid

2-hydroxy-4-methoxy-3-methylbenzoic acid

CAS: 116371-82-5

Formula: C9H10O4

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

IUPAC: 2-hydroxy-4-methoxy-3-methylbenzoic acid

InChI: InChI=1S/C9H10O4/c1-5-7(13-2)4-3-6(8(5)10)9(11)12/h3-4,10H,1-2H3,(H,11,12)

Composition: C (59.34%), H (5.53%), O (35.13%)

Molar Mass: 182.175

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.057908802
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	LZHDGQOTJRJHBX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.8
Topological Polar Surface Area	66.76
Polarizability	17.61
Ring Count	1
Rotatable Bond Count	2

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