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| CAS No.: | 673487-32-6 |
|---|---|
| Name: | 1H-Benzimidazole-2-carboxylicacid,4-methyl-(9CI) |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H8N2O2 |
| Molecular Weight: | 176.175 |
| Synonyms: | 1H-Benzimidazole-2-carboxylicacid, 4-methyl- (9CI);1H-Benzimidazole-2-carboxylicacid,4-methyl;4-Methyl-1H-benzimidazole-2-carboxylic acid;1H-benzimidazole-2-carboxylic acid, 7-methyl-;4-Methylbenzimidazole-2-carboxylic acid;7-Methyl-1H-benzimidazole-2-carboxylic acid; |
| Density: | 1.421 g/cm3 |
| Boiling Point: | 444.5 °C at 760 mmHg |
| Flash Point: | 222.6 °C |
| PSA: | 65.98000 |
| LogP: | 1.56950 |
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- Total:36 Page 1 of 1 1
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Specification
The 1H-Benzimidazole-2-carboxylicacid, 7-methyl-, with the CAS registry number 673487-32-6, is also known as 4-Methylbenzimidazole-2-carboxylic acid. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C9H8N2O2 and formula weight is 176.174. What's more, its systematic name is 4-Methyl-1H-benzimidazole-2-carboxylic acid.
Physical properties of 1H-Benzimidazole-2-carboxylicacid, 7-methyl- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 65.98 Å2; (9)Index of Refraction: 1.709; (10)Molar Refractivity: 48.37 cm3; (11)Molar Volume: 123.9 cm3; (12)Surface Tension: 75 dyne/cm; (13)Density: 1.421 g/cm3; (14)Flash Point: 222.6 °C; (15)Enthalpy of Vaporization: 74.02 kJ/mol; (16)Boiling Point: 444.5 °C at 760 mmHg; (17)Vapour Pressure: 1.11E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc2c1nc([nH]2)C(=O)O
(2)InChI: InChI=1S/C9H8N2O2/c1-5-3-2-4-6-7(5)11-8(10-6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
(3)InChIKey: OBQMQANOQQJNFK-UHFFFAOYSA-N