4-Hydroxy-2,3-dimethylbenzoic acid supplier

Name
4-hydroxy-2,3-diMethyl-Benzoic acid
EINECS
CAS No. 6021-31-4
Article Data2
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point
Formula C₉H₁₀O₃
Boiling Point 344.761 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 176.504 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hydroxy-2,3-dimethyl-benzoesaeure;RW2693;
PSA 57.53000
LogP 1.70720

4-Hydroxy-2,3-dimethylbenzoic acid Specification

The 4-Hydroxy-2,3-dimethylbenzoic acid, with the CAS registry number 6021-31-4, is also known as Benzoic acid, 4-hydroxy-2,3-dimethyl-. This chemical's molecular formula is C₉H₁₀O₃ and molecular weight is 166.17. What's more, its systematic name is 4-Hydroxy-2,3-dimethylbenzoic acid.

Physical properties of 4-Hydroxy-2,3-dimethylbenzoic acid are: (1)ACD/LogP: 2.339; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): -0.40; (5)ACD/BCF (pH 5.5): 2.89; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 36.47; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.53 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 44.714 cm³; (15)Molar Volume: 132.943 cm³; (16)Polarizability: 17.726×10^-24cm³; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 176.504 °C; (20)Enthalpy of Vaporization: 62.135 kJ/mol; (21)Boiling Point: 344.761 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(ccc(O)c1C)C(O)=O
(2)Std. InChI: InChI=1S/C9H10O3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4,10H,1-2H3,(H,11,12)
(3)Std. InChIKey: NGBXMLOGRLGZII-UHFFFAOYSA-N

Product Name

4-hydroxy-2,3-diMethyl-Benzoic acid

4-Hydroxy-2,3-dimethylbenzoic acid Specification

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