Basic information
- CAS
31330-50-4- Standard SMILES
CCOC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])s1- InChIKey
FYIYSVHMODMIHZ-FNORWQNLSA-N- Molecular formula
- C10H8N2O4S
- Average molar mass
- 252.25 g/mol
- Monoisotopic mass
- 252.02047791
Names & identifiers
- Preferred name
- 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester
- IUPAC
- ethyl (E)-2-cyano-3-(5-nitrothiophen-2-yl)prop-2-enoate
Names & synonyms
31330-50-42-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl esterCyto9E2STK077547AKOS000486565CCG-245289ST45032957ethyl (2E)-2-cyano-3-(5-nitro(2-thienyl))prop-2-enoateethyl (2E)-2-cyano-3-(5-nitrothiophen-2-yl)prop-2-enoate
Database identifiers
- CAS
31330-50-4- PubChem CID
- 709362
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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