Basic information
- CAS
85467-65-8- Standard SMILES
C=CCOC(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH+](C)C.O=C([O-])/C=C/C(=O)O- InChIKey
AEKAUXWWOQKGHH-POFUMXIMSA-N- Molecular formula
- C20H25NO6
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.16818752
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, 2-propenyl ester, (Z)-, (E)-2-butenedioate (1:1)
- IUPAC
- dimethyl-[[(1S,2R)-2-phenyl-2-prop-2-enoxycarbonylcyclopropyl]methyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Names & synonyms
85467-65-8Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, 2-propenyl ester, (Z)-, (E)-2-butenedioate (1:1)RefChem:1082774(Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid 2-propenyl ester fumarate
Database identifiers
- CAS
85467-65-8- PubChem CID
- 6435441
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…