Basic information
- Standard SMILES
O=C(O)c1ccc2c(c1)CCC(C(=O)O)C2- InChIKey
HHHUSZQACRFSEE-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
Names & identifiers
- Preferred name
- 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylic Acid
- IUPAC
- 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylic acid
- English name
- 1,2,3,4-tetrahydro-2,6-naphthalenedicarboxylic acid
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylic Acid23974-71-2SCHEMBL2232699tetralin-2,6-dicarboxylic acidSCHEMBL29559031DA-304281,2,3,4-tetrahydronaphthalene-2,6-dicarboxylicAcid2,6-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-tetralin-2,6-dicarboxylicacid1,2,3,4-tetrahydro-2,6-naphthalenedicarboxylic acid
Database identifiers
- CAS
23974-71-2
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 299
Physicochemical properties
- Boiling point
- 462.7 · 462.7±45.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- pka
- 4.34 · 4.34±0.40(Predicted)
Chemistry & industry
Suppliers1 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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