Dimethyl (1R,2R)-cyclobutane-1,2-dicarboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
7371-67-7- Standard SMILES
COC(=O)[C@@H]1CC[C@H]1C(=O)OC- InChIKey
WEPHXFVXUXMCLE-PHDIDXHHSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- Dimethyl (1R,2R)-cyclobutane-1,2-dicarboxylate
- IUPAC
- trans-dimethyl (1R,2R)-cyclobutane-1,2-dicarboxylate
- English name
- Dimethyl trans-(+)-1,2-cyclobutanedicarboxylate
- Molecular formula
- C8H12O4
- Molecular weight
- 172.18
Names & synonyms
7371-67-7Dimethyl (1R,2R)-cyclobutane-1,2-dicarboxylate79120-94-8trans-Dimethyl cyclobutane-1,2-dicarboxylate1,2-Cyclobutanedicarboxylic acid, dimethyl ester, trans-Dimethyl trans-cyclobutane-1,2-dicarboxylateMFCD00799402MFCD17976566trans-1,2-Dimethyl-cyclobutane-1,2-dicarboxylatedimethyl trans-(1R,2R)-cyclobutane-1,2-dicarboxylateCS-0057108P19729
Show more names
dimethyl trans-cyclobutane-1,2-dicarboxylate - [D87345]1,2-Cyclobutanedicarboxylic acid, 1,2-dimethyl ester, (1R,2R)-rel-
P19734methyl (1R,2R)-2-(methoxycarbonyl)cyclobutanecarboxylate1,2-dimethyl (1R,2R)-cyclobutane-1,2-dicarboxylateSCHEMBL2965074DTXSID60499451SBB059220AKOS024389655AS-78551
Database identifiers
- CAS
7371-67-7- PubChem CID
- 12468488
- DTXSID
DTXSID60499451- Nikkaji
- J305.230C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 225 °C · 225°C (estimate)
- Density
- 1.1276 · 1.1276
- refractive index
- 1.445 · 1.4450 (estimate)
- storage temp.
- 0 · Store at 0-8 °C
- Appearance
- colorless liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…