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146692-58-2 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-oxiranylmethyl)-
CAS No: 146692-58-2 Catalog No: AG001E87 MDL No:
Product Description
Catalog Number:
AG001E87
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-oxiranylmethyl)-
CAS Number:
146692-58-2
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
IUPAC Name:
1-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C6H7N3O4/c10-4-7-5(11)9(6(12)8-4)1-3-2-13-3/h3H,1-2H2,(H2,7,8,10,11,12)
InChI Key:
NBZYOWJKOWTTRO-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c(=O)n1CC1OC1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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