Dimethyl bicyclo[3.2.1]octane-1,5-dicarboxylate
Basic information
- CAS
106004-11-9- Standard SMILES
COC(=O)C12CCCC(C(=O)OC)(CC1)C2- InChIKey
KVNMVWDAQWIXDK-UHFFFAOYSA-N- Molecular formula
- C12H18O4
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12050905
Names & identifiers
- Preferred name
- Dimethyl bicyclo[3.2.1]octane-1,5-dicarboxylate
- IUPAC
- dimethyl bicyclo[3.2.1]octane-1,5-dicarboxylate
- English name
- diMethyl bicyclooctane-1,5-dicarboxylate, diMethyl bicyclo[3.2.1]octane-1,5-dicarboxylate
- Molecular formula
- C12H18O4
- Molecular weight
- 226.27
Names & synonyms
Dimethyl bicyclo[3.2.1]octane-1,5-dicarboxylate106004-11-9MFCD26406254diMethyl bicyclooctane-1,5-dicarboxylate, diMethyl bicyclo[3.2.1]octane-1,5-dicarboxylate1,5-DIMETHYL BICYCLO[3.2.1]OCTANE-1,5-DICARBOXYLATEdimethyl bicyclo(3.2.1)octane-1,5-dicarboxylateDimethylbicyclo[3.2.1]octane-1,5-dicarboxylateSCHEMBL9959207DTXSID40545506KVNMVWDAQWIXDK-UHFFFAOYSA-NGEA00411DS-017218
Show more names
CS-0440335G18790F765649Bicyclo[3.2.1]octane-1,5-dicarboxylic acid dimethyl esterBicyclo[3.2.1]octane-1,5-dicarboxylic acid, dimethyl esterBicyclo[3.2.1]octane-1,5-dicarboxylic acid, 1,5-dimethyl esterdiMethyl bicyclo<3.2.1>octane-1,5-dicarboxylate, diMethyl bicyclo[3.2.1]octane-1,5-dicarboxylate
Database identifiers
- CAS
106004-11-9- PubChem CID
- 13633976
- DTXSID
DTXSID40545506
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 68 · 68-72 °C(Press: 0.005 Torr)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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