3,5-dimethylbenzoic acid

3,5-dimethylbenzoic acid

CAS: 499-06-9

Formula: C9H10O2

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

IUPAC: 3,5-dimethylbenzoic acid

InChI: InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)

Composition: C (71.98%), H (6.71%), O (21.31%)

Molar Mass: 150.177

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	150.068079562
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UMVOQQDNEYOJOK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.4
Topological Polar Surface Area	37.3
Polarizability	16.18
Ring Count	1
Rotatable Bond Count	1

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