HRID 498890As productDevelopment of an automated kinetic profiling system with online HPLC for reaction optimization
Basic information
- Standard SMILES
COC(=O)/C(C)=C(\OS(=O)(=O)c1ccc(C)cc1)C1CC1- InChIKey
MQRACJLQKFOHKZ-KAMYIIQDSA-N- Molecular formula
- C15H18O5S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.08749484
Names & identifiers
- Preferred name
- (Z)-methyl 3-cyclopropyl-2-methyl-3-(tosyloxy)acrylate
- IUPAC
- methyl (Z)-3-cyclopropyl-2-methyl-3-(4-methylphenyl)sulfonyloxyprop-2-enoate
Names & synonyms
SCHEMBL15972573MQRACJLQKFOHKZ-KAMYIIQDSA-N(Z)-methyl 3-cyclopropyl-2-methyl-3-(tosyloxy)acrylate
Database identifiers
- PubChem CID
- 90357410
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 517
Related reactions
1 records
Compound notes
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