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53484-19-8

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Basic Information
CAS No.: 53484-19-8
Name: Ethyl 1-methyl-1H-benzimidazole-5-carboxylate
Article Data: 4
Molecular Structure:
Molecular Structure of 53484-19-8 (Ethyl 1-methyl-1H-benzimidazole-5-carboxylate)
Formula: C11H12N2O2
Molecular Weight: 204.228
Synonyms: 5-Benzimidazolecarboxylicacid, 1-methyl-, ethyl ester (7CI);
Density: 1.19g/cm3
Melting Point: 84-85 °C
Boiling Point: 345.9 °C at 760 mmHg
Flash Point: 163 °C
PSA: 44.12000
LogP: 1.75000
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Specification

The 1H-Benzimidazole-5-carboxylicacid, 1-methyl-, ethyl ester, with CAS registry number 53484-19-8, has the systematic name of ethyl 1-methyl-1H-benzimidazole-5-carboxylate. Besides this, it is also called Methyl 1-methyl-1H-benzimidazole-5-carboxylate. And the chemical formula of this chemical is C11H12N2O2.

Physical properties of 1H-Benzimidazole-5-carboxylicacid, 1-methyl-, ethyl ester: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 44.12 Å2; (7)Index of Refraction: 1.584; (8)Molar Refractivity: 57.02 cm3; (9)Molar Volume: 170.1 cm3; (10)Polarizability: 22.6×10-24cm3; (11)Surface Tension: 41.9 dyne/cm; (12)Density: 1.19 g/cm3; (13)Flash Point: 163 °C; (14)Enthalpy of Vaporization: 59 kJ/mol; (15)Boiling Point: 345.9 °C at 760 mmHg; (16)Vapour Pressure: 5.97E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cc2ncn(c2cc1)C
(2)InChI: InChI=1/C11H12N2O2/c1-3-15-11(14)8-4-5-10-9(6-8)12-7-13(10)2/h4-7H,3H2,1-2H3
(3)InChIKey: MQBXKIFEKNCNJX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H12N2O2/c1-3-15-11(14)8-4-5-10-9(6-8)12-7-13(10)2/h4-7H,3H2,1-2H3
(5)Std. InChIKey: MQBXKIFEKNCNJX-UHFFFAOYSA-N