COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC
CAS: 39106-79-1
Name: methyl 2-methoxy-4-nitrobenzoate
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC

Molecular Processing

Molecular formula
C9H9NO5
Molecular weight
211.17
Exact mass
211.0481
XLogP
1.39
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
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
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.99

Supplementary Information

InChIKey: TVOXZWILIMTOIT-UHFFFAOYSA-N
Synonyme
Methyl 2-methoxy-4-nitrobenzoate39106-79-1MFCD11041296Methyl2-methoxy-4-nitrobenzoateMethyl 2-methoxy-4-nitro-benzoateAmisulpride Impurity 10SCHEMBL656472DTXSID60445039TVOXZWILIMTOIT-UHFFFAOYSA-NAKOS005147346AB10293BS-49789SY260826DB-1193662-methoxy-4-nitro-benzoic acid methyl ester10.14272/TVOXZWILIMTOIT-UHFFFAOYSA-Ndoi:10.14272/TVOXZWILIMTOIT-UHFFFAOYSA-NF765024
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