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Home > Imidazoles > 78587-80-1
78587-80-1 | Propanedial, 1H-benzimidazol-2-yl- (9CI)
CAS No: 78587-80-1 Catalog No: AG00G3UN MDL No:MFCD13899652
Product Description
Catalog Number:
AG00G3UN
Chemical Name:
Propanedial, 1H-benzimidazol-2-yl- (9CI)
CAS Number:
78587-80-1
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD13899652
IUPAC Name:
2-(1H-benzimidazol-2-yl)propanedial
InChI:
InChI=1S/C10H8N2O2/c13-5-7(6-14)10-11-8-3-1-2-4-9(8)12-10/h1-7H,(H,11,12)
InChI Key:
QGYYFDCJOLNJTI-UHFFFAOYSA-N
SMILES:
O=CC(c1nc2c([nH]1)cccc2)C=O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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