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7460-56-2 | 2-Oxo-2,3-dihydropyrimidine-4-carbaldehyde oxime
CAS No: 7460-56-2 Catalog No: AG005W13 MDL No:MFCD02685605
Product Description
Catalog Number:
AG005W13
Chemical Name:
2-Oxo-2,3-dihydropyrimidine-4-carbaldehyde oxime
CAS Number:
7460-56-2
Molecular Formula:
C5H5N3O2
Molecular Weight:
139.1121
MDL Number:
MFCD02685605
IUPAC Name:
6-[(E)-hydroxyiminomethyl]-1H-pyrimidin-2-one
InChI:
InChI=1S/C5H5N3O2/c9-5-6-2-1-4(8-5)3-7-10/h1-3,10H,(H,6,8,9)/b7-3+
InChI Key:
XBWGLAJSRHRQSF-XVNBXDOJSA-N
SMILES:
O/N=C/c1ccnc(=O)[nH]1
NSC Number:
59414
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
139.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.114g/mol
Monoisotopic Mass:
139.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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