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Basic Information
CAS No.: 77557-01-8
Name: 2H-Benzimidazol-2-one,1,3-dihydro-1-propyl-(9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 77557-01-8 (2H-Benzimidazol-2-one,1,3-dihydro-1-propyl-(9CI))
Formula: C10H12N2O
Molecular Weight: 176.22
Synonyms: 2-Benzimidazolinone,1-propyl- (6CI);
Density: 1.128 g/cm3
PSA: 38.05000
LogP: 2.15190
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Chemistry

Product Name: 1-propyl-3H-benzoimidazol-2-one
Systematic of 1-propyl-3H-benzoimidazol-2-one (CAS NO.77557-01-8): 2H-Benzimidazol-2-one,1,3-dihydro-1-propyl-(9CI)
CAS NO: 77557-01-8
Molecular Formula of 1-propyl-3H-benzoimidazol-2-one (CAS NO.77557-01-8): C10H12N2O
Molecular Weight: 176.2151
Molecular Structure:

H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 23.55 Å2
Index of Refraction: 1.556
Molar Refractivity: 50.2 cm3
Molar Volume: 156.1 cm3
Polarizability: 19.9 10-24cm3
Surface Tension: 39.8 dyne/cm
Density of 1-propyl-3H-benzoimidazol-2-one (CAS NO.77557-01-8): 1.128 g/cm3 
SMILES: O=C2Nc1ccccc1N2CCC 
InChI: InChI=1/C10H12N2O/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,2,7H2,1H3,(H,11,13) 
InChIKey: YNFLIDHXMNKSQR-UHFFFAOYAB
Std. InChI: InChI=1S/C10H12N2O/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,2,7H2,1H3,(H,11,13) 
Std. InChIKey: YNFLIDHXMNKSQR-UHFFFAOYSA-N