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89051-59-2 | 1,2,4-Triazine-6-carboxylic acid, 2,5-dihydro-5-oxo-3-(phenylamino)-
CAS No: 89051-59-2 Catalog No: AG0042DF MDL No:
Product Description
Catalog Number:
AG0042DF
Chemical Name:
1,2,4-Triazine-6-carboxylic acid, 2,5-dihydro-5-oxo-3-(phenylamino)-
CAS Number:
89051-59-2
Molecular Formula:
C10H8N4O3
Molecular Weight:
232.1955
IUPAC Name:
3-anilino-5-oxo-4H-1,2,4-triazine-6-carboxylic acid
InChI:
InChI=1S/C10H8N4O3/c15-8-7(9(16)17)13-14-10(12-8)11-6-4-2-1-3-5-6/h1-5H,(H,16,17)(H2,11,12,14,15)
InChI Key:
ZQPNEKGHKICBSP-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(nc1=O)Nc1ccccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.199g/mol
Monoisotopic Mass:
232.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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