Dimethyl(1r,2r)-1-methylcyclopropane-1,2-dicarboxylate
Basic information
- CAS
702-92-1- Standard SMILES
COC(=O)[C@@H]1C[C@@]1(C)C(=O)OC- InChIKey
NDRULFBEMISCLM-YLWLKBPMSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- Dimethyl(1r,2r)-1-methylcyclopropane-1,2-dicarboxylate
- IUPAC
- trans-dimethyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate
- English name
- Dimethyl 1-methyl-trans-1,2-cyclopropanedicarboxylate
- Molecular formula
- C8H12O4
- Molecular weight
- 172.18
Names & synonyms
702-92-1dimethyl(1r,2r)-1-methylcyclopropane-1,2-dicarboxylatedimethyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylaterac-1,2-dimethyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylateSCHEMBL2967944DTXSID40990436DB-222550ST50307283Trans-dimethyl 1-methylcyclopropane-1,2-dicarboxylatemethyl (1R,2R)-2-(methoxycarbonyl)-1-methylcyclopropanecarboxylate(1R,2r)-rel-1-methyl-1,2-cyclopropanedicarboxylicacid 1,2-dimethyl esterDimethyl 1-methyl-trans-1,2-cyclopropanedicarboxylate
Show more names
TRANS-DIMETHYL 1-METHYL-1,2-CYCLOPROPANEDICARBOXYLATEDimethyl 1-methyl-trans-1,2-cyclopropanedicarboxylate,99+%1,2-Cyclopropanedicarboxylic acid, 1-methyl-, 1,2-dimethyl ester, (1R,2R)-rel-
Database identifiers
- CAS
702-92-1- PubChem CID
- 736648
- DTXSID
DTXSID40990436- EC Number
- 196-444-9
Properties
Computed structural properties
- 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
- 223
Physicochemical properties
- Boiling point
- 97 °C · 97 °C (18 mmHg)
- Density
- 1.2104 · 1.2104 (rough estimate)
- refractive index
- 1.4445 · 1.4445-1.4465
- Safety Statements
- 24 · 24/25
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
- safety_code
- 24/25
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Related reactions
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Compound notes
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