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14161-02-5 | 4-Pyrimidinecarboxaldehyde,1,2,3,6-tetrahydro-2,6-dioxo-, 4-(2-formylhydrazone)
CAS No: 14161-02-5 Catalog No: AG006XJB MDL No:
Product Description
Catalog Number:
AG006XJB
Chemical Name:
4-Pyrimidinecarboxaldehyde,1,2,3,6-tetrahydro-2,6-dioxo-, 4-(2-formylhydrazone)
CAS Number:
14161-02-5
Molecular Formula:
C6H6N4O3
Molecular Weight:
182.1368
IUPAC Name:
N-[(2,4-dioxo-1H-pyrimidin-6-yl)methylideneamino]formamide
InChI:
InChI=1S/C6H6N4O3/c11-3-8-7-2-4-1-5(12)10-6(13)9-4/h1-3H,(H,8,11)(H2,9,10,12,13)
InChI Key:
VJRDAHMZOASJSX-UHFFFAOYSA-N
SMILES:
O=CNN=Cc1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.139g/mol
Monoisotopic Mass:
182.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.7
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