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774510-09-7 | 4H-Benzimidazol-5-ol
CAS No: 774510-09-7 Catalog No: AG005BA7 MDL No:
Product Description
Catalog Number:
AG005BA7
Chemical Name:
4H-Benzimidazol-5-ol
CAS Number:
774510-09-7
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
IUPAC Name:
3,4-dihydrobenzimidazol-5-one
InChI:
InChI=1S/C7H6N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h1-2,4H,3H2,(H,8,9)
InChI Key:
NEQBGJLPTYIIMM-UHFFFAOYSA-N
SMILES:
OC1=CC=C2C(=NC=N2)C1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.138g/mol
Monoisotopic Mass:
134.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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