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6209-44-5 | 5-NITROBARBITURIC ACID TRIHYDRATE
CAS No: 6209-44-5 Catalog No: AG003MX2 MDL No:
Product Description
Catalog Number:
AG003MX2
Chemical Name:
5-NITROBARBITURIC ACID TRIHYDRATE
CAS Number:
6209-44-5
IUPAC Name:
5-nitro-1,3-diazinane-2,4,6-trione;trihydrate
InChI:
InChI=1S/C4H3N3O5.3H2O/c8-2-1(7(11)12)3(9)6-4(10)5-2;;;/h1H,(H2,5,6,8,9,10);3*1H2
InChI Key:
MXFRQEURRMBYRS-UHFFFAOYSA-N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
227.129g/mol
Monoisotopic Mass:
227.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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