Basic information
- CAS
22919-28-4- Standard SMILES
O=C(O)C1C=CC=CC1C(=O)O- InChIKey
OYUWHGGWLCJJNP-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225873
Overview
1,2-Dihydrophthalic acid is a dicarboxylic acid.
Names & identifiers
- Preferred name
- 1,2-Dihydrophthalic acid
- IUPAC
- cyclohexa-3,5-diene-1,2-dicarboxylic acid
- English name
- 1,2-dihydrophthalic acid
- Molecular formula
- C8H8O4
- Molecular weight
- 168.15
Names & synonyms
1,2-Dihydrophthalic acid22919-28-4Cyclohexa-3,5-diene-1,2-dicarboxylic acid3,5-cyclohexadiene-1,2-dicarboxylic acidCyclohexa-3,5-diene-1,2-dicarboxylatedihydrophthalic acidEINECS 245-326-6NSC131336NSC 1313363,5-Cyclohexadiene-1,2-dicarboxylicacidSCHEMBL156544SCHEMBL1898993
Show more names
CHEBI:80385DTXSID80945602AKOS003617943NSC-131336NS00048817Q27149409
Database identifiers
- CAS
22919-28-4- PubChem CID
- 89904
- DTXSID
DTXSID80945602- ChEBI
CHEBI:80385- EC Number
- 245-326-6
- Nikkaji
- J83.236G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 209 · 209-210 °C
- Boiling point
- 413 · 413.0±45.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- 3.37 · 3.37±0.40(Predicted)
Chemistry & industry
Suppliers3 total
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
众鑫辰实（武汉）科技有限公司18942922096 · [email protected]
Additional notes
DefinitionChEBI: 1,2-Dihydrophthalic acid is a dicarboxylic acid.
Related reactions
1 records
Compound notes
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