7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate

Chemical Structure Depiction of
7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate
Available: 124 mg
Amount:
mg
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Compound characteristics

Compound ID: 2953-0002
Compound Name: 7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate
Molecular Weight: 271.23
Molecular Formula: C14 H9 N O5
Smiles: C1=CC=C(C(C=C1)=O)OC(c1ccc(cc1)[N+]([O-])=O)=O
Stereo: ACHIRAL
logP: 2.3337
logD: 2.3337
logSw: -2.6684
Hydrogen bond acceptors count: 9
Polar surface area: 67.459
InChI Key: FYMMOYJRZNRRAT-UHFFFAOYSA-N
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