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113912-98-4 | 1,2,4-Triazin-3(2H)-one, 5-(4-methoxyphenyl)-2-(2-oxopropyl)-
CAS No: 113912-98-4 Catalog No: AG000A1J MDL No:
Product Description
Catalog Number:
AG000A1J
Chemical Name:
1,2,4-Triazin-3(2H)-one, 5-(4-methoxyphenyl)-2-(2-oxopropyl)-
CAS Number:
113912-98-4
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
IUPAC Name:
5-(4-methoxyphenyl)-2-(2-oxopropyl)-1,2,4-triazin-3-one
InChI:
InChI=1S/C13H13N3O3/c1-9(17)8-16-13(18)15-12(7-14-16)10-3-5-11(19-2)6-4-10/h3-7H,8H2,1-2H3
InChI Key:
IKKFFHFXVCDSPE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnn(c(=O)n1)CC(=O)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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