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16858-58-5 | 4-Pyrimidinecarboxaldehyde, 2,3-dihydro-2-oxo-6-phenyl-, 4-oxime
CAS No: 16858-58-5 Catalog No: AG001Y69 MDL No:
Product Description
Catalog Number:
AG001Y69
Chemical Name:
4-Pyrimidinecarboxaldehyde, 2,3-dihydro-2-oxo-6-phenyl-, 4-oxime
CAS Number:
16858-58-5
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
IUPAC Name:
6-(hydroxyiminomethyl)-4-phenyl-1H-pyrimidin-2-one
InChI:
InChI=1S/C11H9N3O2/c15-11-13-9(7-12-16)6-10(14-11)8-4-2-1-3-5-8/h1-7,16H,(H,13,14,15)
InChI Key:
YKWAHYNYEWZOPG-UHFFFAOYSA-N
SMILES:
ON=Cc1cc(nc(=O)[nH]1)c1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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