3-(hydroxymethyl)-5-methylbenzoic acid

3-(hydroxymethyl)-5-methylbenzoic acid

Formula: C9H10O3

SMILES: CC1=CC(CO)=CC(=C1)C(O)=O

IUPAC: 3-(hydroxymethyl)-5-methylbenzoic acid

InChI: InChI=1S/C9H10O3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,10H,5H2,1H3,(H,11,12)

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	2
InChIKey	BIOXYUWVLDTYMT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.17
Topological Polar Surface Area	57.53
Polarizability	16.89
Ring Count	1
Rotatable Bond Count	2

Suppliers

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H10O3		Quote Only