3-Amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid
Basic information
- CAS
4831-47-4- Standard SMILES
Nc1cc2c(cc1C(=O)O)C(=O)c1ccccc1C2=O- InChIKey
SSONOLLEQNJAFC-UHFFFAOYSA-N- Molecular formula
- C15H9NO4
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.05315777
Names & identifiers
- Preferred name
- 3-Amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid
- IUPAC
- 3-amino-9,10-dioxoanthracene-2-carboxylic acid
- English name
- 3-amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid
- Molecular formula
- C15H9NO4
- Molecular weight
- 267.24
Names & synonyms
4831-47-43-Amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid3-amino-9,10-dioxoanthracene-2-carboxylic acid3-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acidEINECS 225-409-3DTXSID801974872-Aminoanthrachinon-3-carbonsaureSSONOLLEQNJAFC-UHFFFAOYSA-NNS000317863-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylicacid3-amino-2-anthraquinonecarboxylic acid3-azanyl-9,10-dioxo-anthracene-2-carboxylic acid
Show more names
3-amino-9,10-diketo-anthracene-2-carboxylic acid3-Amino-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acid2-Anthracenecarboxylic acid, 3-amino-9,10-dihydro-9,10-dioxo-
Database identifiers
- CAS
4831-47-4- PubChem CID
- 78544
- DTXSID
DTXSID80197487- EC Number
- 225-409-3
- Nikkaji
- J262.483D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Melting point
- 362 · 362-363 °C
- Boiling point
- 592.7 · 592.7±50.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- pka
- 4.19 · 4.19±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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