3-Hydroxy-2-methylbenzoic acid CAS NO.603-80-5

1. Introduction of3-Hydroxy-2-methylbenzoic acid

The 3-Hydroxy-2-methylbenzoic acid, with its CAS NO603-80-5, is a kind ofLight yellow crys

1. Introduction of 3-Hydroxy-2-methylbenzoic acid

The 3-Hydroxy-2-methylbenzoic acid, with its CAS NO 603-80-5, is a kind of Light yellow crystalline solid. It has synonyms of NSC73133;2-Methyl-3-hydroxybenzoic acid 3,2-Cresoticacid (8CI). 3-Hydroxy-2-methylbenzoic acid should be stored in shady cool warehouse.

 

2. Properties of 3-Hydroxy-2-methylbenzoic acid

(1) ACD/LogP: 1.681 (2) ACD/LogD (pH 5.5): -0.10 (3) ACD/LogD (pH 7.4): -1.36
(4) ACD/BCF (pH 5.5): 1.00 (5) ACD/BCF (pH 7.4): 1.00
(6) ACD/KOC (pH 5.5): 3.22 (7) ACD/KOC (pH 7.4): 1.00
(8) #H bond acceptors: 3 (9) #H bond donors: 2
(10) #Freely Rotating Bonds: 2 (11) Polar Surface Area: 57.53  2
(12) Index of Refraction: 1.6 (13) Molar Refractivity: 39.889 cm3
(14) Molar Volume: 116.668 cm3 (15) Polarizability: 15.813 10-24cm3
(16) Surface Tension: 58.068000793457 dyne/cm (17) Density: 1.304 g/cm3
(18) Flash Point: 171.558 °C (19) Enthalpy of Vaporization: 61.191 kJ/mol
(20) Boiling Point: 336.574 °C at 760 mmHg 

3. Structure descriptors of 3-Hydroxy-2-methylbenzoic acid

IUPAC Name: 3-hydroxy-2-methylbenzoic acid

InChI: InChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)

InChIKey: RIERSGULWXEJKL-UHFFFAOYSA-N

Canonical SMILES : CC1=C(C=CC=C1O)C(=O)O