COC1=CC=CC(=C1[N+](=O)[O-])C=O
CAS: 53055-05-3
Name: 3-methoxy-2-nitrobenzaldehyde
SMILES: COC1=CC=CC(=C1[N+](=O)[O-])C=O

Molecular Processing

Molecular formula
C8H7NO4
Molecular weight
181.15
Exact mass
181.0375
XLogP
1.42
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.04

Supplementary Information

InChIKey: GDTUACILWWLIJF-UHFFFAOYSA-N
Synonyms
3-Methoxy-2-nitrobenzaldehyde53055-05-3Benzaldehyde, 3-methoxy-2-nitro-3-methoxy-2-nitro-benzaldehyde4W88LZM8VPEINECS 258-332-9NSC-1725582-Nitro-3-methoxy benzaldehydeDTXSID20201097NSC 172558RefChem:94571Benzaldehyde, 3methoxy2nitroDTXCID20123588258-332-9GDTUACILWWLIJF-UHFFFAOYSA-NMFCD000071352-nitro-3-methoxybenzaldehydeNSC172558UNII-4W88LZM8VPSCHEMBL594443SCHEMBL594444SCHEMBL29708088AKOS015852320FM703223-Methoxy-2-nitrobenzaldehyde, >=97%AC-23846BP-20090BS-16969SY030552DB-006476
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Involved in 28 reactions→

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