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Home > Imidazoles > 26258-21-9
26258-21-9 | 1,3,4,5,6,7-hexahydro-2H-benzimidazol-2-one
CAS No: 26258-21-9 Catalog No: AG00CDN5 MDL No:MFCD03413592
Product Description
Catalog Number:
AG00CDN5
Chemical Name:
1,3,4,5,6,7-hexahydro-2H-benzimidazol-2-one
CAS Number:
26258-21-9
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD03413592
IUPAC Name:
1,3,4,5,6,7-hexahydrobenzimidazol-2-one
InChI:
InChI=1S/C7H10N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H2,(H2,8,9,10)
InChI Key:
KITZBYBFZNVHFR-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)CCCC2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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