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387362-54-1 | 2H-Benzimidazole,5-methoxy-,1-oxide(9CI)
CAS No: 387362-54-1 Catalog No: AG00CWOP MDL No:
Product Description
Catalog Number:
AG00CWOP
Chemical Name:
2H-Benzimidazole,5-methoxy-,1-oxide(9CI)
CAS Number:
387362-54-1
IUPAC Name:
5-methoxy-1-oxido-2H-benzimidazol-1-ium
InChI:
InChI=1S/C8H8N2O2/c1-12-6-2-3-8-7(4-6)9-5-10(8)11/h2-4H,5H2,1H3
InChI Key:
DDAYDQUPXGGXIH-UHFFFAOYSA-N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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