Basic information
- CAS
91963-78-9- Standard SMILES
O=C(O)C1CCC(C(=O)O)c2ccccc21- InChIKey
WDFBLFTVCQEYEB-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-
- IUPAC
- 1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic acid
Names & synonyms
NSC1536581,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic acid1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-91963-78-9SCHEMBL8370418DTXSID60302794AKOS024345222NSC-1536581,2,3,4-tetrahydro-1,4-naphthalenedicarboxylic acid
Database identifiers
- CAS
91963-78-9- PubChem CID
- 290356
- DTXSID
DTXSID60302794- EC Number
- 137-621-2
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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