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95971-56-5 | 7-tert-butyl-3-methyl-2h-[1,2]oxazolo[2,3-a][1,3,5]triazine-2,4(3h)-dione
CAS No: 95971-56-5 Catalog No: AG005WG5 MDL No:
Product Description
Catalog Number:
AG005WG5
Chemical Name:
7-tert-butyl-3-methyl-2h-[1,2]oxazolo[2,3-a][1,3,5]triazine-2,4(3h)-dione
CAS Number:
95971-56-5
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
IUPAC Name:
7-tert-butyl-3-methyl-[1,2]oxazolo[2,3-a][1,3,5]triazine-2,4-dione
InChI:
InChI=1S/C10H13N3O3/c1-10(2,3)6-5-7-11-8(14)12(4)9(15)13(7)16-6/h5H,1-4H3
InChI Key:
FNZZZABFKOHYSZ-UHFFFAOYSA-N
SMILES:
Cn1c(=O)nc2n(c1=O)oc(c2)C(C)(C)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.232g/mol
Monoisotopic Mass:
223.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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