CAS 2698-69-3 4-Formyl-2-methoxy-3-nitrophenyl acetate (HCID 246319)

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Basic information

CAS: 2698-69-3
Standard SMILES: COc1c(OC(C)=O)ccc(C=O)c1[N+](=O)[O-]
InChIKey: HCFBQKXQWQSMNV-UHFFFAOYSA-N
Molecular formula: C10H9NO6
Average molar mass: 239.18 g/mol
Monoisotopic mass: 239.04298701

Names & identifiers

Preferred name: 4-Formyl-2-methoxy-3-nitrophenyl acetate
IUPAC: (4-formyl-2-methoxy-3-nitrophenyl) acetate
English name: 4-Formyl-2-methoxy-3-nitrophenyl acetate
Molecular formula: C10H9NO6
Molecular weight: 239.18

Names & synonyms

4-formyl-2-methoxy-3-nitrophenyl acetate2698-69-3(4-formyl-2-methoxy-3-nitrophenyl) acetateMFCD00086004benzaldehyde, 4-(acetyloxy)-3-methoxy-2-nitro-Benzaldehyde, 4-(acetyloxy)-3-methoxy-2-nitro- (9CI)NSC592392-Nitro-3-methoxy-4-acetoxybenzaldehyde2-Methoxy-3-nitro-4-formylphenyl acetate4-FORMYL-2-METHOXY-3-NITROPHENYLACETATESCHEMBL82579SCHEMBL29456226

Show more names

4-(acetyloxy)-3-Methoxy-2-nitro-1-Formyl-4-methoxy-3-nitrophenyl acetate4-acetyloxy-3-methoxy-2-nitrobenzaldehyde(4-methanoyl-2-methoxy-3-nitro-phenyl) ethanoateAcetic acid 4-formyl-2-methoxy-3-nitrophenyl ester

DTXSID90289105AKOS B029358CAA69869NSC-59239STK001339AKOS0003135434-acetoxy-3-methoxy-2nitrobenzaldehydeAB03199

Database identifiers

CAS: 2698-69-3
PubChem CID

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 98.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 312

Physicochemical properties

Melting point: 87 °C · 87 °C
Boiling point: 377 · 377.0±42.0 °C(Predicted)
Density: 1.37 · 1.370±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338