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Home > Aldehydes > 181867-19-6
181867-19-6 | 1H-Benzimidazole-6-carboxaldehyde, 1-methyl-
CAS No: 181867-19-6 Catalog No: AG00235C MDL No:MFCD11977687
Product Description
Catalog Number:
AG00235C
Chemical Name:
1H-Benzimidazole-6-carboxaldehyde, 1-methyl-
CAS Number:
181867-19-6
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD11977687
IUPAC Name:
3-methylbenzimidazole-5-carbaldehyde
InChI:
InChI=1S/C9H8N2O/c1-11-6-10-8-3-2-7(5-12)4-9(8)11/h2-6H,1H3
InChI Key:
VWOWVKAZVUBJDJ-UHFFFAOYSA-N
SMILES:
Cn1cnc2c1cc(C=O)cc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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