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88091-47-8 | 1H-Imidazole-4-carboxaldehyde, 1-ethyl-, oxime, (E)-
CAS No: 88091-47-8 Catalog No: AG004EJV MDL No:
Product Description
Catalog Number:
AG004EJV
Chemical Name:
1H-Imidazole-4-carboxaldehyde, 1-ethyl-, oxime, (E)-
CAS Number:
88091-47-8
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
IUPAC Name:
N-[(1-ethylimidazol-4-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C6H9N3O/c1-2-9-4-6(3-8-10)7-5-9/h3-5,10H,2H2,1H3
InChI Key:
WAFRWDYWOKJDJK-UHFFFAOYSA-N
SMILES:
CCn1cc(nc1)/C=N/O
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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