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88091-44-5 | 1H-Imidazole-4-carboxaldehyde, 1-(4-methylphenyl)-, oxime, (Z)-
CAS No: 88091-44-5 Catalog No: AG004J6B MDL No:
Product Description
Catalog Number:
AG004J6B
Chemical Name:
1H-Imidazole-4-carboxaldehyde, 1-(4-methylphenyl)-, oxime, (Z)-
CAS Number:
88091-44-5
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
N-[[1-(4-methylphenyl)imidazol-4-yl]methylidene]hydroxylamine
InChI:
InChI=1S/C11H11N3O/c1-9-2-4-11(5-3-9)14-7-10(6-13-15)12-8-14/h2-8,15H,1H3
InChI Key:
QOOWBOFWRFFEGV-UHFFFAOYSA-N
SMILES:
O/N=C\c1ncn(c1)c1ccc(cc1)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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