Home Other Building Blocks 5-[1-(hydroxyimino)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

5-[1-(hydroxyimino)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

CAS No.:
1087792-19-5
Catalog Number:
AG019MQM
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
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Product Description
Catalog Number:
AG019MQM
Chemical Name:
5-[1-(hydroxyimino)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CAS Number:
1087792-19-5
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD11099471
IUPAC Name:
5-(N-hydroxy-C-methylcarbonimidoyl)-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C9H9N3O2/c1-5(12-14)6-2-3-7-8(4-6)11-9(13)10-7/h2-4,14H,1H3,(H2,10,11,13)
InChI Key:
DVHWMURJSSFXRW-UHFFFAOYSA-N
SMILES:
ON=C(c1ccc2c(c1)[nH]c(=O)[nH]2)C
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.5  
Properties