Basic information
- CAS
18274-34-5- Standard SMILES
O=C(O)C1C=CC(C(=O)O)c2ccccc21- InChIKey
FMPOSZITAILTAE-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- 1,4-Dihydronaphthalene-1,4-dicarboxylic acid
- IUPAC
- 1,4-dihydronaphthalene-1,4-dicarboxylic acid
Names & synonyms
1,4-Dihydronaphthalene-1,4-dicarboxylic acidMLS00310639418274-34-524699-24-9NSC153657SCHEMBL8917182CHEMBL1879912DTXSID00302793NSC-153657SMR001821300
Database identifiers
- CAS
18274-34-5、24699-24-9- PubChem CID
- 290355
- DTXSID
DTXSID00302793- ChEMBL
CHEMBL1879912- Nikkaji
- J1.727.779K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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