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15961-84-9 | 1(2H)-Pyrimidineacetaldehyde, 3,4-dihydro-5-nitro-2,4-dioxo-
CAS No: 15961-84-9 Catalog No: AG001R7S MDL No:
Product Description
Catalog Number:
AG001R7S
Chemical Name:
1(2H)-Pyrimidineacetaldehyde, 3,4-dihydro-5-nitro-2,4-dioxo-
CAS Number:
15961-84-9
Molecular Formula:
C6H5N3O5
Molecular Weight:
199.1210
IUPAC Name:
2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetaldehyde
InChI:
InChI=1S/C6H5N3O5/c10-2-1-8-3-4(9(13)14)5(11)7-6(8)12/h2-3H,1H2,(H,7,11,12)
InChI Key:
IIJBTCDOPUNMQQ-UHFFFAOYSA-N
SMILES:
O=CCn1cc([N+](=O)[O-])c(=O)[nH]c1=O
NSC Number:
89215
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.122g/mol
Monoisotopic Mass:
199.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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