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CAS No.: | 5628-61-5 |
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Name: | 2,3-DIMETHYL-4-METHOXYBENZOIC ACID |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C10H12O3 |
Molecular Weight: | 180.203 |
Synonyms: | 4-Methoxy-2,3-dimethylbenzoic acid;p-Anisic acid, 2,3-dimethyl- (6CI,7CI,8CI);4-Methoxy-2,3-dimethylbenzoic acid; |
Density: | 1.137 g/cm3 |
Boiling Point: | 307.169 °C at 760 mmHg |
Flash Point: | 120.395 °C |
PSA: | 46.53000 |
LogP: | 2.01020 |
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The 2,3-Dimethyl-4-methoxybenzoic acid, with the CAS registry number 5628-61-5, is also known as Benzoic acid, 4-methoxy-2,3-dimethyl-. This chemical's molecular formula is C10H12O3 and molecular weight is 180.20. What's more, its systematic name is 4-Methoxy-2,3-dimethylbenzoic acid.
Physical properties of 2,3-Dimethyl-4-methoxybenzoic acid are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 6.65; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 64.18; (8)ACD/KOC (pH 7.4): 1.48; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 49.511 cm3; (15)Molar Volume: 158.516 cm3; (16)Polarizability: 19.628×10-24cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.137 g/cm3; (19)Flash Point: 120.395 °C; (20)Enthalpy of Vaporization: 57.836 kJ/mol; (21)Boiling Point: 307.169 °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(C)c(ccc1OC)C(O)=O
(2)Std. InChI: InChI=1S/C10H12O3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5H,1-3H3,(H,11,12)
(3)Std. InChIKey: IPCTTXWQWCZEOE-UHFFFAOYSA-N