6,7-Dihydro-8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole

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Basic information

CAS: 114020-51-8
Standard SMILES: COc1cccc2c1CC([N+](=O)[O-])c1ccc3c(c1-2)OCO3
InChIKey: JFUKUGZCEVFZHX-UHFFFAOYSA-N
Molecular formula: C16H13NO5
Average molar mass: 299.28 g/mol
Monoisotopic mass: 299.07937252

Names & identifiers

Preferred name: 6,7-Dihydro-8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole
IUPAC: 8-methoxy-6-nitro-6,7-dihydronaphtho[2,1-g][1,3]benzodioxole

Names & synonyms

6,7-Dihydro-8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole114020-51-8P689QNR58TCCRIS 15476,7-DIHYDRO-8-METHOXY-6-NITROPHENANTHRO[3,4-D]-1,3-DIOXOLEUNII-P689QNR58TDTXSID00921261Q272862788-Methoxy-6-nitro-6,7-dihydro-2H-phenanthro[3,4-d][1,3]dioxolePHENANTHRO(3,4-D)-1,3-DIOXOLE, 6,7-DIHYDRO-8-METHOXY-6-NITRO-

Database identifiers

CAS: 114020-51-8
PubChem CID: 154188
DTXSID: DTXSID00921261
UNII: P689QNR58T

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 73.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 439

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Compound notes

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