Basic information
- CAS
59279-02-6- Standard SMILES
COC(=O)c1c(C(=O)OC)c(O)c2ccccc2c1O- InChIKey
NNXKRIQKNDMZDO-UHFFFAOYSA-N- Molecular formula
- C14H12O6
- Average molar mass
- 276.24 g/mol
- Monoisotopic mass
- 276.0633881
Names & identifiers
- Preferred name
- 2,3-Naphthalenedicarboxylic acid, 1,4-dihydroxy-, dimethyl ester
- IUPAC
- dimethyl 1,4-dihydroxynaphthalene-2,3-dicarboxylate
Names & synonyms
59279-02-62,3-Naphthalenedicarboxylic acid, 1,4-dihydroxy-, dimethyl esterDTXSID60331382RefChem:245162DTXCID10282476dimethyl 1,4-dihydroxynaphthalene-2,3-dicarboxylatedimethyl 1,4-dihydroxy-2,3-naphthalenedicarboxylate1,4-dihydroxy-naphthalene-2,3-dicarboxylic acid dimethyl ester
Database identifiers
- CAS
59279-02-6- PubChem CID
- 438019
- DTXSID
DTXSID60331382- Nikkaji
- J2.734.740A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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