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3030-60-2 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-propen-1-yl)-
CAS No: 3030-60-2 Catalog No: AG002ZK5 MDL No:
Product Description
Catalog Number:
AG002ZK5
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-propen-1-yl)-
CAS Number:
3030-60-2
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
IUPAC Name:
1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C6H7N3O3/c1-2-3-9-5(11)7-4(10)8-6(9)12/h2H,1,3H2,(H2,7,8,10,11,12)
InChI Key:
KLUMROWVGFRESW-UHFFFAOYSA-N
SMILES:
C=CCn1c(=O)[nH]c(=O)[nH]c1=O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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