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113912-99-5

113912-99-5 | 1,2,4-Triazin-3(2H)-one, 5-(4-hydroxyphenyl)-2-(2-oxopropyl)-

CAS No: 113912-99-5 Catalog No: AG000A1I MDL No:

Product Description

Catalog Number:
AG000A1I
Chemical Name:
1,2,4-Triazin-3(2H)-one, 5-(4-hydroxyphenyl)-2-(2-oxopropyl)-
CAS Number:
113912-99-5
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
IUPAC Name:
5-(4-hydroxyphenyl)-2-(2-oxopropyl)-1,2,4-triazin-3-one
InChI:
InChI=1S/C12H11N3O3/c1-8(16)7-15-12(18)14-11(6-13-15)9-2-4-10(17)5-3-9/h2-6,17H,7H2,1H3
InChI Key:
BHWAEMNDONHUMW-UHFFFAOYSA-N
SMILES:
CC(=O)Cn1ncc(nc1=O)c1ccc(cc1)O

Properties

Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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