COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
CAS: 5081-36-7
Name: 3-methoxy-4-nitrobenzoic acid
SMILES: COC1=C(C=CC(=C1)C(=O)O)[N+](=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: PWURRRRGLCVBMX-UHFFFAOYSA-N
Synonyme
3-Methoxy-4-nitrobenzoic acid5081-36-7Benzoic acid, 3-methoxy-4-nitro-EINECS 225-793-2DTXSID50198840NSC 148471RefChem:94591DTXCID10121331225-793-2PWURRRRGLCVBMX-UHFFFAOYSA-N4-Nitro-3-methoxybenzoic acidMFCD000073533-methoxy-4-nitro-benzoic acidNSC-1484714-Nitro-m-anisic Acid3-Methoxy-4-nitrobenzoicAcidNSC148471QG2KLY3KYWm-Anisic acid, 4-nitro-SCHEMBL2238783-methoxy4-nitro-benzoic acidSCHEMBL297536683-(methyloxy)-4-nitrobenzoic acidGEO-01715SBB0527783-Methoxy-4-nitrobenzoic acid, 98%AKOS005254727CS-W007961FM03105GS-6828
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