Home Aldehydes 4-Pyrimidinecarboxaldehyde, oxime, (E)- (9CI)

4-Pyrimidinecarboxaldehyde, oxime, (E)- (9CI)

CAS No.:
50305-79-8
Catalog Number:
AG00E1BT
Molecular Formula:
C5H5N3O
Molecular Weight:
123.1127
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Product Description
Catalog Number:
AG00E1BT
Chemical Name:
4-Pyrimidinecarboxaldehyde, oxime, (E)- (9CI)
CAS Number:
50305-79-8
Molecular Formula:
C5H5N3O
Molecular Weight:
123.1127
MDL Number:
MFCD18820951
IUPAC Name:
N-(pyrimidin-4-ylmethylidene)hydroxylamine
InChI:
InChI=1S/C5H5N3O/c9-8-3-5-1-2-6-4-7-5/h1-4,9H
InChI Key:
PUVYLIOTFMFXOB-UHFFFAOYSA-N
SMILES:
ON=Cc1ccncn1
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
123.115g/mol
Monoisotopic Mass:
123.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.3  
Properties