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6245-04-1

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Basic Information
CAS No.: 6245-04-1
Name: 2-HYDROXY-3-METHYL-BENZOIC ACID
Article Data: 20
Molecular Structure:
Molecular Structure of 6245-04-1 (2-HYDROXY-3-METHYL-BENZOIC ACID)
Formula: C9H10O3
Molecular Weight: 166.177
Synonyms: Salicylic acid,3,5-dimethyl- (6CI,7CI,8CI);3,5-Dimethylsalicylic acid;Mesitylenic acid,2-hydroxy-;
EINECS: 228-356-4
Density: 1.249 g/cm3
Boiling Point: 303.5 °C at 760 mmHg
Flash Point: 151.6 °C
PSA: 57.53000
LogP: 1.70720
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Specification

The Benzoic acid,2-hydroxy-3,5-dimethyl- is the organic compound with the formula C9H10O3. With the CAS registry number 6245-04-1, its IUPAC name is 2-hydroxy-3,5-dimethylbenzoic acid.

Physical properties of Benzoic acid,2-hydroxy-3,5-dimethyl-: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 0.07; (3)ACD/LogD (pH 7.4): -0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.23; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.587; (12)Molar Refractivity: 44.71 cm3; (13)Molar Volume: 132.9 cm3; (14)Surface Tension: 53.5 dyne/cm; (15)Density: 1.249 g/cm3; (16)Flash Point: 151.6 °C; (17)Enthalpy of Vaporization: 57.42 kJ/mol; (18)Boiling Point: 303.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000408 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(cc(c1O)C)C
(2)InChI: InChI=1/C9H10O3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,10H,1-2H3,(H,11,12)
(3)InChIKey: MCFGYHKPYCQXJH-UHFFFAOYAH