Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
Basic information
- CAS
5959-01-3- Standard SMILES
CCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O- InChIKey
BEJYYZULZYIARA-UHFFFAOYSA-N- Molecular formula
- C17H13NO4
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.0844579
Names & identifiers
- Preferred name
- Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
- IUPAC
- ethyl 1-amino-9,10-dioxoanthracene-2-carboxylate
- English name
- 1-Amino-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
5959-01-3ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylateEthyl 1-aminoanthraquinone-2-carboxylate18TQV7W460ethyl 1-amino-9,10-dioxoanthracene-2-carboxylateUNII-18TQV7W460SCHEMBL11036628DTXSID70974981BEJYYZULZYIARA-UHFFFAOYSA-NEthyl 1-amino-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylateEINECS 227-723-6MFCD00408450
Show more names
1-Amino-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acid ethyl esterAKOS001591090NS00047453AB00076811-01EN300-27726071Q272520321-AMINOANTHRAQUINONE-2-CARBOXYLIC ACID ETHYL ESTER [MI]Ethyl 1-amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylate
Database identifiers
- CAS
5959-01-3- PubChem CID
- 80059
- DTXSID
DTXSID70974981- UNII
- 18TQV7W460
- EC Number
- 227-723-6
- Nikkaji
- J223.907H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- FDA UNII
- 18 TQV7W460 · 18TQV7W460
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Related reactions
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Compound notes
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