Basic information
- CAS
1874-12-0- Standard SMILES
CCOC(=O)/C=C/c1ccc([N+](=O)[O-])o1- InChIKey
WGROOPOBLKUOMN-GQCTYLIASA-N- Molecular formula
- C9H9NO5
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.04807239
Names & identifiers
- Preferred name
- Ethyl 3-(5-nitro-2-furyl)acrylate
- IUPAC
- ethyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
Names & synonyms
Ethyl 3-(5-nitro-2-furyl)acrylate1874-12-0Ethyl 5-nitro-2-furanacrylateCCRIS 5635Ethyl 3-(5-nitro-2-furyl)propenoate5-Nitro-2-furanacrylic acid, ethyl ester5-Nitro-2-furylacrylic acid, ethyl esterAI3-17339Ethyl 3-(5-nitro-2-furanyl)-2-propenoateACRYLIC ACID, 3-(5-NITRO-2-FURYL)-, ETHYL ESTEREthyl 3-(5-nitro-2-furyl)-2-propenoateethyl 3-{5-nitro-2-furyl}acrylate
Show more names
RefChem:138666WGROOPOBLKUOMN-GQCTYLIASA-NNF 23NSC 64772-Furanacrylic acid, 5-nitro-, ethyl ester93303-56-1Ethyl 3-(5-nitrofuran-2-yl)acrylate3-(5-Nitro-2-furanyl)-2-propenoic acid ethyl ester
Database identifiers
- CAS
1874-12-0- PubChem CID
- 899314
- ChEMBL
CHEMBL1630886- Nikkaji
- J55.135J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Experimental & physicochemical properties
LogP2.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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