Basic information
- CAS
149635-78-9- Standard SMILES
O=C(OCO)c1ccc(C(=O)OCO)c2ccccc12- InChIKey
IXSQFYPMFAZHGF-UHFFFAOYSA-N- Molecular formula
- C14H12O6
- Average molar mass
- 276.24 g/mol
- Monoisotopic mass
- 276.0633881
Names & identifiers
- Preferred name
- Bis(hydroxymethyl) naphthalene-1,4-dicarboxylate
- IUPAC
- bis(hydroxymethyl) naphthalene-1,4-dicarboxylate
Names & synonyms
DTXSID301225125Bis(hydroxymethyl) naphthalene-1,4-dicarboxylate1,4-Bis(hydroxymethyl) 1,4-naphthalenedicarboxylate149635-78-9
Database identifiers
- CAS
149635-78-9- PubChem CID
- 85697151
- DTXSID
DTXSID301225125
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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