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4887-81-4 | 1H-Benzimidazole, 5-methoxy-2-methyl-
CAS No: 4887-81-4 Catalog No: AG00I8TD MDL No:MFCD00767455
Product Description
Catalog Number:
AG00I8TD
Chemical Name:
1H-Benzimidazole, 5-methoxy-2-methyl-
CAS Number:
4887-81-4
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD00767455
IUPAC Name:
6-methoxy-2-methyl-1H-benzimidazole
InChI:
InChI=1S/C9H10N2O/c1-6-10-8-4-3-7(12-2)5-9(8)11-6/h3-5H,1-2H3,(H,10,11)
InChI Key:
KNQUHMCADKEUNP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc([nH]2)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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