2,6-CRESOTIC ACID, 3-(1,2-DIMETHYLPROPYL)-

2-hydroxy-6-methyl-3-(3-methylbutan-2-yl)benzoic acid

CAS: 20717-17-3

Molecular Formula	`C13H18O3`
Molecular Weight	222.28 g/mol
LogP	3.9
Topological Polar Surface Area	57.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	222.1256
Heavy Atoms	16
Complexity	250.0

Chemical Identifiers

CAS Number	20717-17-3
SMILES	`CC1=C(C(=C(C=C1)C(C)C(C)C)O)C(=O)O`
InChIKey	`PGRPMFNLCROCLI-UHFFFAOYSA-N`

📖 Product Overview

2,6-CRESOTIC ACID, 3-(1,2-DIMETHYLPROPYL)- (CAS: 20717-17-3) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.28 g/mol. Its IUPAC systematic name is 2-hydroxy-6-methyl-3-(3-methylbutan-2-yl)benzoic acid. LogP 3.9 Topological Polar Surface Area 57.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 222.1256 Heavy Atoms 16 Complexity 250.0 InChI Key: PGRPMFNLCROCLI-UHFFFAOYSA-N. SMILES: CC1=C(C(=C(C=C1)C(C)C(C)C)O)C(=O)O.

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