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72721-02-9 | 5,6-Dimethoxy-1H-benzo[d]imidazole
CAS No: 72721-02-9 Catalog No: AG003MA5 MDL No:MFCD00612461
Product Description
Catalog Number:
AG003MA5
Chemical Name:
5,6-Dimethoxy-1H-benzo[d]imidazole
CAS Number:
72721-02-9
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD00612461
IUPAC Name:
5,6-dimethoxy-1H-benzimidazole
InChI:
InChI=1S/C9H10N2O2/c1-12-8-3-6-7(11-5-10-6)4-9(8)13-2/h3-5H,1-2H3,(H,10,11)
InChI Key:
BTWUUHKQHOSMIN-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]cnc2cc1OC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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