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88091-40-1 | 1H-Imidazole-4-carboxaldehyde, 1-(4-ethoxyphenyl)-, oxime, (Z)-
CAS No: 88091-40-1 Catalog No: AG004EJY MDL No:
Product Description
Catalog Number:
AG004EJY
Chemical Name:
1H-Imidazole-4-carboxaldehyde, 1-(4-ethoxyphenyl)-, oxime, (Z)-
CAS Number:
88091-40-1
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
N-[[1-(4-ethoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine
InChI:
InChI=1S/C12H13N3O2/c1-2-17-12-5-3-11(4-6-12)15-8-10(7-14-16)13-9-15/h3-9,16H,2H2,1H3
InChI Key:
NGNMMVDKOKTJJL-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)n1cnc(c1)/C=N\O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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