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