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138477-00-6 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-acetyl-1-phenyl-3-(2-propyn-1-yl)-
CAS No: 138477-00-6 Catalog No: AG00198D MDL No:
Product Description
Catalog Number:
AG00198D
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-acetyl-1-phenyl-3-(2-propyn-1-yl)-
CAS Number:
138477-00-6
Molecular Formula:
C15H12N2O4
Molecular Weight:
284.2668
IUPAC Name:
5-acetyl-1-phenyl-3-prop-2-ynyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C15H12N2O4/c1-3-9-16-13(19)12(10(2)18)14(20)17(15(16)21)11-7-5-4-6-8-11/h1,4-8,12H,9H2,2H3
InChI Key:
IDTFCVRZLXKFBS-UHFFFAOYSA-N
SMILES:
C#CCN1C(=O)C(C(=O)C)C(=O)N(C1=O)c1ccccc1
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.271g/mol
Monoisotopic Mass:
284.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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