Basic information
- Standard SMILES
O=C(O)c1cccc2c([N+](=O)[O-])ccc(C(=O)O)c12- InChIKey
MUXFCBHANADOHV-UHFFFAOYSA-N- Molecular formula
- C12H7NO6
- Average molar mass
- 261.19 g/mol
- Monoisotopic mass
- 261.02733694
Names & identifiers
- Preferred name
- 4-Nitronaphthalene-1,8-dicarboxylic acid
- IUPAC
- 4-nitronaphthalene-1,8-dicarboxylic acid
- English name
- 4-Nitro-1,8-Naphthalenedicarboxylic Acid
- Molecular formula
- C12H7NO6
- Molecular weight
- 261.19
Names & synonyms
4-nitronaphthalene-1,8-dicarboxylic acid5425-83-21,8-naphthalenedicarboxylic acid, 4-nitro-NSC13925SCHEMBL4442634SCHEMBL31401808DTXSID00279739NSC 13925NSC-13925STK098467AKOS0053965114-Nitro-1,8-Naphthalenedicarboxylic Acid
Database identifiers
- CAS
5425-83-2- PubChem CID
- 224973
- DTXSID
DTXSID00279739- Nikkaji
- J28.861F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 586.4 · 586.4±40.0 °C(Predicted)
- Density
- 1.627 · 1.627±0.06 g/cm3(Predicted)
- pka
- 1.67 · 1.67±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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