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87428-01-1 | 1,2,4-Triazin-6(1H)-one, 2,5-dihydro-3-(4-propoxyphenyl)-
CAS No: 87428-01-1 Catalog No: AG004J7J MDL No:
Product Description
Catalog Number:
AG004J7J
Chemical Name:
1,2,4-Triazin-6(1H)-one, 2,5-dihydro-3-(4-propoxyphenyl)-
CAS Number:
87428-01-1
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
3-(4-propoxyphenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
InChI:
InChI=1S/C12H15N3O2/c1-2-7-17-10-5-3-9(4-6-10)12-13-8-11(16)14-15-12/h3-6H,2,7-8H2,1H3,(H,13,15)(H,14,16)
InChI Key:
DTKWRGZAIPYNDY-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C1=NCC(=O)NN1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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