C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
CAS: 603-11-2
Nombre: 3-nitrophthalic acid
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

Molecular Processing

Molecular formula
C8H5NO6
Molecular weight
211.13
Exact mass
211.0117
XLogP
0.99
TPSA
117.74
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
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
Molar refractivity
47.02

Supplementary Information

InChIKey: KFIRODWJCYBBHY-UHFFFAOYSA-N
Sinónimos
3-Nitrophthalic acid603-11-2Phthalic acid, 3-nitro-1,2-Benzenedicarboxylic acid, 3-nitro-MC7W4GB97CNSC-3120DTXSID9060528RefChem:95046DTXCID1042786210-030-83-nitrobenzene-1,2-dicarboxylic acid3-nitro-phthalic acidMFCD00007138m-Nitrophthalic acid3-Nitrophthalicacid3-nitro phthalic acidPomalidomide Impurity 53-nitrophthalicnitrophthalic acidNSC3120NSC 31203-nitrophtalic acidEINECS 210-030-83-nitrophthaiic acid3-Nitro-1,2-benzenedicarboxylic acid3- nitrophthalic acidAI3-02074UNII-MC7W4GB97C3-Nitrophthalic acid, 95%3-Nitrophthalic acid, 99%
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