1-Amino-9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde
Basic information
- CAS
6363-87-7- Standard SMILES
Nc1c(C=O)ccc2c1C(=O)c1ccccc1C2=O- InChIKey
QUPVURNJBGAEQX-UHFFFAOYSA-N- Molecular formula
- C15H9NO3
- Average molar mass
- 251.24 g/mol
- Monoisotopic mass
- 251.05824315
Names & identifiers
- Preferred name
- 1-Amino-9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde
- IUPAC
- 1-amino-9,10-dioxoanthracene-2-carbaldehyde
- English name
- 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde
- Molecular formula
- C15H9NO3
- Molecular weight
- 251.24
Names & synonyms
6363-87-71-AMINO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBALDEHYDE1-amino-9,10-dioxoanthracene-2-carbaldehydeAnthracene-2-carbaldehyde, 1-amino-9,10-dihydro-9,10-dioxo-1-Amino-9,10-dihydro-9,10-dioxo-2-anthracenecarboxaldehyde1-amino-9,10-dioxo-anthracene-2-carbaldehydeSCHEMBL66356111-Amino-9,10-dioxo-9,10-dihydro-2-anthracenecarbaldehydeDTXSID10213003QUPVURNJBGAEQX-UHFFFAOYSA-NSBB1009331-Aminoanthraquinone-2-carboxaldehyde
Show more names
1-azanyl-9,10-dioxo-anthracene-2-carbaldehyde1-amino-9,10-diketo-anthracene-2-carbaldehyde2-Anthracenecarboxaldehyde, 1-amino-9,10-dihydro-9,10-dioxo-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde(SALTDATA: FREE)
AKOS000603468DB-029005ST50338448AG-690/40097100SR-01000317650SR-01000317650-11-Amino-9,10-dioxo-9,10-dihydro-2-anthracenecarbaldehyde #
Database identifiers
- CAS
6363-87-7- PubChem CID
- 22849
- DTXSID
DTXSID10213003- Nikkaji
- J596.531D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 233 °C · 233 °C
- Boiling point
- 538.5 · 538.5±50.0 °C(Predicted)
- Density
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- pka
- -4.51 · -4.51±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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