Dimethyl cyclohexa-1,3-diene-1,4-dicarboxylate
Basic information
- CAS
1659-95-6- Standard SMILES
COC(=O)C1=CC=C(C(=O)OC)CC1- InChIKey
OHMZFZHWICZJNJ-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- Dimethyl cyclohexa-1,3-diene-1,4-dicarboxylate
- IUPAC
- dimethyl cyclohexa-1,3-diene-1,4-dicarboxylate
- English name
- Dimethyl 1,3-cyclohexadiene-1,4-dicarbox ylate, tech., 90
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
Dimethyl Cyclohexa-1,3-diene-1,4-dicarboxylate1659-95-6DTXSID80400160RefChem:338677DTXCID70351016SCHEMBL5906945DIMETHYL 1,3-CYCLOHEXADIENE-1,4-DICARBOX YLATE, TECH., 90AKOS0062301062,3-Dihydroterephthalic acid dimethyl esterdimethyl 1,3-cyclohexadiene-1,4-dicarboxylate1,3-Cyclohexadiene-1,4-dicarboxylic acid dimethyl esterDIMETHYL 1,3-CYCLOHEXADIENE-1,4-DICARBOX YLATE, TECH., 90%
Show more names
1,3-Cyclohexadiene-1,4-dicarboxylic acid, 1,4-dimethyl ester
Database identifiers
- CAS
1659-95-6- PubChem CID
- 4166453
- DTXSID
DTXSID80400160- Nikkaji
- J80.275A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 80 · 80-82 °C(lit.)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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