1,4-Naphthalenedione, 2-hydroxy-3-((4-methylphenyl)amino)-
Basic information
- CAS
135330-11-9- Standard SMILES
Cc1ccc(NC2=C(O)c3ccccc3C(=O)C2=O)cc1- InChIKey
LOGBYHDPBDTSMK-UHFFFAOYSA-N- Molecular formula
- C17H13NO3
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.08954328
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-hydroxy-3-((4-methylphenyl)amino)-
- IUPAC
- 4-hydroxy-3-(4-methylanilino)naphthalene-1,2-dione
Names & synonyms
135330-11-91,4-Naphthalenedione, 2-hydroxy-3-((4-methylphenyl)amino)-4-hydroxy-3-(4-methylanilino)naphthalene-1,2-dione1,4-Naphthalenedione, 2-hydroxy-3-[(4-methylphenyl)amino]-NSC108030DTXSID30928965NSC-1080304-Hydroxy-3-(p-tolylamino)naphthalene-1,2-dione2-hydroxy-3-(4-methylanilino)naphthalene-1,4-dione
Database identifiers
- CAS
135330-11-9- PubChem CID
- 268015
- DTXSID
DTXSID30928965- Nikkaji
- J370.522F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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