Basic information
- CAS
37178-51-1- Standard SMILES
COC(=O)C1(C(=O)OC)C(c2ccccc2)C1[N+](=O)[O-]- InChIKey
IYKQWMXDSAGDGX-UHFFFAOYSA-N- Molecular formula
- C13H13NO6
- Average molar mass
- 279.24 g/mol
- Monoisotopic mass
- 279.07428713
Names & identifiers
- Preferred name
- 1,1-Cyclopropanedicarboxylic acid, 2-nitro-3-phenyl-, 1,1-dimethyl ester
- IUPAC
- dimethyl 2-nitro-3-phenylcyclopropane-1,1-dicarboxylate
Names & synonyms
1,1-Cyclopropanedicarboxylic acid, 2-nitro-3-phenyl-, 1,1-dimethyl ester37178-51-1RefChem:213489DTXSID801149944Dimethyl 2-nitro-3-phenylcyclopropane-1,1-dicarboxylate
Database identifiers
- CAS
37178-51-1- PubChem CID
- 73239161
- DTXSID
DTXSID801149944
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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