2-Propenoic acid, 3-[5-(4-nitrophenyl)-2-furanyl]-, (E)-
Basic information
- CAS
62806-39-7- Standard SMILES
O=C(O)C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1- InChIKey
OGFLVOQOCHNPDE-UHFFFAOYSA-N- Molecular formula
- C13H9NO5
- Average molar mass
- 259.21 g/mol
- Monoisotopic mass
- 259.04807239
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-[5-(4-nitrophenyl)-2-furanyl]-, (E)-
- IUPAC
- 3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoic acid
- English name
- 62806-39-7
- Molecular formula
- C13H9NO5
- Molecular weight
- 259.21
Names & synonyms
2-Propenoic acid, 3-[5-(4-nitrophenyl)-2-furanyl]-, (E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoic acidCBDivE_012196SCHEMBL6545678DTXSID803569163-[5-(4-nitrophenyl)-2-furyl]prop-2-enoic acid3-(5-(4-nitrophenyl)-2-furanyl)-2-propenoic acid
Database identifiers
- CAS
62806-39-7- PubChem CID
- 837014
- DTXSID
DTXSID80356916
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
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Compound notes
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