COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
CAS: 1882-69-5
Name: 5-methoxy-2-nitrobenzoic acid
SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Molecular Processing

Molecular formula
C8H7NO5
Molecular weight
197.15
Exact mass
197.0324
XLogP
1.3
TPSA
89.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
46.61

Supplementary Information

InChIKey: URADKXVAIGMTEG-UHFFFAOYSA-N
Synonyme
5-Methoxy-2-nitrobenzoic acid1882-69-5DTXSID90320805RefChem:536665DTXCID10271926606-135-7Benzoic acid, 5-methoxy-2-nitro-2-Nitro-5-methoxybenzoic acidMFCD001518365-methoxy-2-nitro-benzoic acid5-methoxy-nitrobenzoic acid6-Nitro-m-anisic Acid5-Methoxy-2-nitrobenzoicAcidNSC364656SCHEMBL2696142-nitro-5-methoxy benzoic acidSCHEMBL305805045-(methyloxy)-2-nitrobenzoic acidSTR05879SBB0285245-Methoxy-2-nitrobenzoic acid, 97%AKOS000147444AC-1099CS-W002435FM64217NSC 364656NSC-364656SY002263DB-044670M2245
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