Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-
Basic information
- CAS
82535-31-7- Standard SMILES
CC(C)=C[C@@H]1[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C1(C)C- InChIKey
MYPBCHKEKSZNSG-CABCVRRESA-N- Molecular formula
- C17H21NO4
- Average molar mass
- 303.35 g/mol
- Monoisotopic mass
- 303.14705815
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-
- IUPAC
- cis-(4-nitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
82535-31-7Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-DTXSID80231835(4-NITROPHENYL)METHYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE
Database identifiers
- CAS
82535-31-7- PubChem CID
- 158161
- DTXSID
DTXSID80231835- Nikkaji
- J246.602C
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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