Basic information
- CAS
56594-28-6- Standard SMILES
CCOCc1ccc2c(c1N)C(=O)c1ccccc1C2=O- InChIKey
KZJJMZBMTCQTTN-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 1-Amino-2-ethoxymethyl-9,10-anthracenedione
- IUPAC
- 1-amino-2-(ethoxymethyl)anthracene-9,10-dione
Names & synonyms
1-AMINO-2-ETHOXYMETHYL-9,10-ANTHRACENEDIONE56594-28-61-amino-2-(ethoxymethyl)anthracene-9,10-dioneDTXSID30205147
Database identifiers
- CAS
56594-28-6- PubChem CID
- 41933
- DTXSID
DTXSID30205147- Nikkaji
- J1.619.258I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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