Basic information
- CAS
63971-99-3- Standard SMILES
CCOC(=O)C(Cc1c[nH]c2ccccc12)[N+](=O)[O-]- InChIKey
TWFYELOBENMNHC-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- Ethyl 3-(1h-indol-3-yl)-2-nitropropanoate
- IUPAC
- ethyl 3-(1H-indol-3-yl)-2-nitropropanoate
Names & synonyms
ethyl 3-(1h-indol-3-yl)-2-nitropropanoate63971-99-3DTXSID20303308RefChem:343105DTXCID00254440NSC157803SCHEMBL15374323ethyl a-nitro-b-(3-indolyl)propionateNSC-157803
Database identifiers
- CAS
63971-99-3- PubChem CID
- 292162
- DTXSID
DTXSID20303308- Nikkaji
- J2.456.927F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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