C1(=O)N(C(=O)N(C(=O)N1O)O)O
CAS: 143435-52-3
Nom: 1,3,5-trihydroxy-1,3,5-triazinane-2,4,6-trione
SMILES: C1(=O)N(C(=O)N(C(=O)N1O)O)O

Molecular Processing

Molecular formula
C3H3N3O6
Molecular weight
177.07
Exact mass
177.0022
XLogP
-3.12
TPSA
126.69
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
0
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0
Molar refractivity
30.78

Supplementary Information

InChIKey: NBIJDQIBCRZHFK-UHFFFAOYSA-N
Synonymes
1,3,5-trihydroxy-1,3,5-triazinane-2,4,6-trione3HOTTORefChem:906826143435-52-3N N' N -TRIHYDROXYISOCYANURIC ACID1,3,5-Trihydroxyhexahydro-1,3,5-triazine-2,4,6-trioneMFCD06411330TRIHYDROXY-1,3,5-TRIAZINANE-2,4,6-TRIONESCHEMBL43955C3H3N3O6hexahydro-1,3,5-trihydroxy-1,3,5-triazine-2,4,6-trioneNBIJDQIBCRZHFK-UHFFFAOYSA-N1,3,5-trihy-droxyisocyanuric acid1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trihydroxy-TFA43552LT0053AKOS015913605AS-76157DA-30298CS-0446519D88003F769843
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→