Basic information
- CAS
14861-12-2- Standard SMILES
O=C(O)c1cccc2c3c(cc([N+](=O)[O-])c12)CCCC3- InChIKey
IXLLAVBUXBNIQK-UHFFFAOYSA-N- Molecular formula
- C15H13NO4
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.0844579
Names & identifiers
- Preferred name
- 10-Nitro-5,6,7,8-tetrahydrophenanthrene-1-carboxylic acid
- IUPAC
- 10-nitro-5,6,7,8-tetrahydrophenanthrene-1-carboxylic acid
- English name
- 10-nitro-5,6,7,8-tetrahydrophenanthrene-1-carboxylic acid
- Molecular formula
- C15H13NO4
- Molecular weight
- 271.27
Names & synonyms
14861-12-210-nitro-5,6,7,8-tetrahydrophenanthrene-1-carboxylic acidNSC80803DTXSID90292199NSC-808031-Phenanthrenecarboxylic acid, 5,6,7,8-tetrahydro-10-nitro-
Database identifiers
- CAS
14861-12-2- PubChem CID
- 255358
- DTXSID
DTXSID90292199
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Boiling point
- 508.9 · 508.9±50.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
- pka
- 1 · 1+-.0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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