2-Methoxycarbonyl-3-(5-nitro-2-furyl)acrylonitrile
Basic information
- CAS
836-37-3- Standard SMILES
COC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])o1- InChIKey
VTPSQKRYJMAJDL-GQCTYLIASA-N- Molecular formula
- C9H6N2O5
- Average molar mass
- 222.15 g/mol
- Monoisotopic mass
- 222.0276713
Names & identifiers
- Preferred name
- 2-Methoxycarbonyl-3-(5-nitro-2-furyl)acrylonitrile
- IUPAC
- methyl (E)-2-cyano-3-(5-nitrofuran-2-yl)prop-2-enoate
Names & synonyms
Methyl 2-cyano-3-(5-nitrofuran-2-yl)acrylate836-37-3alpha-Cyano-5-nitro-2-furanacrylic acid, methyl ester2-Methoxycarbonyl-3-(5-nitro-2-furyl)acrylonitrileCCRIS 5656alpha-Cyano-5-nitro-2-furanacrylic acid methyl ester2-FURANACRYLIC ACID, alpha-CYANO-5-NITRO-, METHYL ESTERAKOS003236258
Database identifiers
- CAS
836-37-3- PubChem CID
- 708100
- Nikkaji
- J1.036.474D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 375
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Compound notes
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