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28840-37-1 | 4-Pyrimidinecarboxaldehyde, 2-methyl-, oxime
CAS No: 28840-37-1 Catalog No: AG002WRN MDL No:MFCD09702180
Product Description
Catalog Number:
AG002WRN
Chemical Name:
4-Pyrimidinecarboxaldehyde, 2-methyl-, oxime
CAS Number:
28840-37-1
Molecular Formula:
C6H7N3O
Molecular Weight:
137.1393
MDL Number:
MFCD09702180
IUPAC Name:
(NE)-N-[(2-methylpyrimidin-4-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C6H7N3O/c1-5-7-3-2-6(9-5)4-8-10/h2-4,10H,1H3/b8-4+
InChI Key:
TUOSNYDPUOFVCD-XBXARRHUSA-N
SMILES:
Cc1nc(C=NO)ccn1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
137.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.142g/mol
Monoisotopic Mass:
137.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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