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27653-63-0 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-methyl-
CAS No: 27653-63-0 Catalog No: AG002UCI MDL No:
Product Description
Catalog Number:
AG002UCI
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-methyl-
CAS Number:
27653-63-0
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
IUPAC Name:
5-ethyl-5-methyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C7H10N2O3/c1-3-7(2)4(10)8-6(12)9-5(7)11/h3H2,1-2H3,(H2,8,9,10,11,12)
InChI Key:
RCFRTWDBBMGLGK-UHFFFAOYSA-N
SMILES:
CCC1(C)C(=O)NC(=O)NC1=O
EC Number:
248-593-7
NSC Number:
30403
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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