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279226-70-9 | 1-Methyl-1H-benzimidazole-5-carboxaldehyde
CAS No: 279226-70-9 Catalog No: AG007JQC MDL No:MFCD09261052
Product Description
Catalog Number:
AG007JQC
Chemical Name:
1-Methyl-1H-benzimidazole-5-carboxaldehyde
CAS Number:
279226-70-9
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD09261052
IUPAC Name:
1-methylbenzimidazole-5-carbaldehyde
InChI:
InChI=1S/C9H8N2O/c1-11-6-10-8-4-7(5-12)2-3-9(8)11/h2-6H,1H3
InChI Key:
PZIDCZRIHGNHPD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)ncn2C
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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