CC(C)(COC1=CC(=C(C=C1)O)C(=O)N)[N+](=O)[O-]
CAS: 76813-91-7
Nom: 2-hydroxy-5-(2-methyl-2-nitropropoxy)benzamide
SMILES: CC(C)(COC1=CC(=C(C=C1)O)C(=O)N)[N+](=O)[O-]

Molecular Processing

Molecular formula
C11H14N2O5
Molecular weight
254.24
Exact mass
254.0903
XLogP
0.93
TPSA
115.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
63.19

Supplementary Information

InChIKey: VNSNLGYFOCTXQP-UHFFFAOYSA-N
Synonymes
5-(2-methyl-2-nitropropoxy)salicylamideSCHEMBL10713923VNSNLGYFOCTXQP-UHFFFAOYSA-NDTXSID00124643376813-91-75-(2-methyl-2-nitropropoxy)-salicylamide5-(2-methyl-2-nitro-propoxy)-salicylamide2-hydroxy-5-(2-methyl-2-nitropropoxy)benzamide
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Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→