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39513-22-9 | 5-Ethoxy-1H-benzo[d]imidazol-2(3H)-one
CAS No: 39513-22-9 Catalog No: AG0078KZ MDL No:
Product Description
Catalog Number:
AG0078KZ
Chemical Name:
5-Ethoxy-1H-benzo[d]imidazol-2(3H)-one
CAS Number:
39513-22-9
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
IUPAC Name:
5-ethoxy-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C9H10N2O2/c1-2-13-6-3-4-7-8(5-6)11-9(12)10-7/h3-5H,2H2,1H3,(H2,10,11,12)
InChI Key:
NWUXEFLAKIZIGO-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)[nH]c(=O)[nH]2
Properties
Complexity:
208
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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