Basic information
- CAS
56594-27-5- Standard SMILES
COCc1ccc2c(c1N)C(=O)c1ccccc1C2=O- InChIKey
DHAFCUUNHYUFEW-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 1-Amino-2-methoxymethyl-9,10-anthracenedione
- IUPAC
- 1-amino-2-(methoxymethyl)anthracene-9,10-dione
Names & synonyms
1-AMINO-2-METHOXYMETHYL-9,10-ANTHRACENEDIONE56594-27-51-amino-2-(methoxymethyl)anthracene-9,10-dioneDTXSID70205146
Database identifiers
- CAS
56594-27-5- PubChem CID
- 41932
- DTXSID
DTXSID70205146- Nikkaji
- J1.619.255D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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