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Home > Imidazoles > 39513-27-4
39513-27-4 | 2H-Benzimidazol-2-one,5-acetyl-1,3-dihydro-(9CI)
CAS No: 39513-27-4 Catalog No: AG00CML1 MDL No:MFCD08444405
Product Description
Catalog Number:
AG00CML1
Chemical Name:
2H-Benzimidazol-2-one,5-acetyl-1,3-dihydro-(9CI)
CAS Number:
39513-27-4
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD08444405
IUPAC Name:
5-acetyl-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C9H8N2O2/c1-5(12)6-2-3-7-8(4-6)11-9(13)10-7/h2-4H,1H3,(H2,10,11,13)
InChI Key:
WHQVLSZDGFJRJL-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)[nH]c(=O)[nH]2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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