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5-Nitrophenanthrene-1,10-dicarboxylic Anhydride

HCID 10589782
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C1OC(=O)c2cc3cccc([N+](=O)[O-])c3c3cccc1c23
InChIKey
QXSXIDNZYZRSEN-UHFFFAOYSA-N
Molecular formula
C16H7NO5
Average molar mass
293.23 g/mol

Names & identifiers

Preferred name
5-Nitrophenanthrene-1,10-dicarboxylic Anhydride
IUPAC
3-nitro-11-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione

Names & synonyms

SCHEMBL9079255QXSXIDNZYZRSEN-UHFFFAOYSA-N5-Nitrophenanthrene-1,10-dicarboxylic Anhydride

Database identifiers

PubChem CID
10589782

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
89.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
22
Formal charge
0
Complexity
527

Related reactions

1 records
New reaction record
HRID 36637 reaction equation
HRID 36637As productuspto-grants-1995_05

Compound notes

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