1H-Benzimidazole-2-carboxylicacid, 6-methoxy- supplier

Name
5-METHOXY-1H-BENZOIMIDAZOLE-2-CARBOXYLICACID
EINECS
CAS No. 887572-60-3
Article Data4
CAS DataBase
Density 1.46 g/cm³
Solubility
Melting Point 152-154℃ (ethanol )
Formula C₉H₈N₂O₃
Boiling Point 468.8 °C at 760 mmHg
Molecular Weight 192.1714
Flash Point 237.322 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazole-2-carboxylicacid, 5-methoxy- (9CI);5-Methoxy-1H-benzimidazole-2-carboxylic acid;
PSA 75.21000
LogP 1.26970

1H-Benzimidazole-2-carboxylicacid, 6-methoxy- Specification

The 1H-Benzimidazole-2-carboxylicacid, 6-methoxy-, with the CAS registry number 887572-60-3, is also known as 5-Methoxy-1H-benzo[d]imidazole-2-carboxylic acid. It belongs to the product categories of Benzoimidazole; Building Blocks. This chemical's molecular formula is C₉H₈N₂O₃ and molecular weight is 192.1714. What's more, both its IUPAC name and systematic name are the same which is called 6-Methoxy-1H-benzimidazole-2-carboxylic acid.

Physical properties about 1H-Benzimidazole-2-carboxylicacid, 6-methoxy- are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 75.21 Å²; (11)Index of Refraction: 1.689; (12)Molar Refractivity: 50.228 cm³; (13)Molar Volume: 131.627 cm³; (14)Surface Tension: 72.175 dyne/cm; (15)Density: 1.46 g/cm³; (16)Flash Point: 237.322 °C; (17)Enthalpy of Vaporization: 77.018 kJ/mol; (18)Boiling Point: 468.8 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1nc2cc(ccc2n1)OC
(2) InChI: InChI=1/C9H8N2O3/c1-14-5-2-3-6-7(4-5)11-8(10-6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
(3) InChIKey: GYPYWLKJBRSMIM-UHFFFAOYAM

Product Name

5-METHOXY-1H-BENZOIMIDAZOLE-2-CARBOXYLICACID

1H-Benzimidazole-2-carboxylicacid, 6-methoxy- Specification

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