Basic information
- CAS
16877-79-5- Standard SMILES
CCOC(=O)C1=C(O)CC(C(=O)OCC)=C(O)C1- InChIKey
NSWNRIHCLWQMCD-UHFFFAOYSA-N- Molecular formula
- C12H16O6
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.09468823
Names & identifiers
- Preferred name
- Diethyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate
- IUPAC
- diethyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate
- English name
- 1,4-Cyclohexadiene-1,4-dicarboxylicacid, 2,5-dihydroxy-, 1,4-diethyl ester
- Molecular formula
- C12H16O6
- Molecular weight
- 256.25
Names & synonyms
16877-79-5diethyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylateDiethylsuccinoylsuccinatediethyl 2,5-dihydroxy-1,4-cyclohexadiene-1,4-dicarboxylate7ST9KV5XVDNSC-1779761,4-Bis(ethoxycarbonyl)-2,5-dihydroxy-1,4-cyclohexadiene1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-dihydroxy-, diethyl esterNSC177976diethyl succinoylsuccinateUNII-7ST9KV5XVDSCHEMBL7588914
Show more names
1,4-Cyclohexadiene-1,4-dicarboxylicacid, 2,5-dihydroxy-, 1,4-diethyl ester
DTXSID80715660NSWNRIHCLWQMCD-UHFFFAOYSA-N1,5-dihydroxy-1,4-cyclohexadieneSTL3535041,4-DIETHYL 2,5-DIHYDROXYCYCLOHEXA-1,4-DIENE-1,4-DICARBOXYLATE2,5-DIHYDROXY-1,4-CYCLOHEXADIENE-1,4-DICARBOXYLIC ACID DIETHYL ESTERAKOS002291818NSC 177976
Database identifiers
- CAS
16877-79-5- PubChem CID
- 54679331
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 125 · 125-126 °C
- Boiling point
- 406.3 · 406.3±45.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±1.00(Predicted)
- FDA UNII
- 7 ST9KV5XVD · 7ST9KV5XVD
Chemistry & industry
Suppliers2 total
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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