| CAS Number | 132434-55-0 |
| Catalog Number | AG0071EP(AGN-PC-0WB4C6) |
| Chemical Name | (E)-3-(furan-2-yl)-1-(3-nitrophenyl)prop-2-en-1-one |
| IUPAC Name | 3-(furan-2-yl)-1-(3-nitrophenyl)prop-2-en-1-one |
| InChI | InChI=1S/C13H9NO4/c15-13(7-6-12-5-2-8-18-12)10-3-1-4-11(9-10)14(16)17/h1-9H |
| InChI Key | DUWCFILRTWWPFG-UHFFFAOYSA-N |
| MDL Number | MFCD01159067 |
| Molecular Formula | C13H9NO4 |
| Molecular Weight | 243.2149 |
| SMILES | [N+](=O)([O-])C1=CC=CC(=C1)C(=O)/C=C/C1=CC=CO1 |
| Synonyms | (2E)-3-(2-furyl)-1-(3-nitrophenyl)prop-2-en-1-one,
(E)-3-(furan-2-yl)-1-(3-nitrophenyl)prop-2-en-1-one,
132434-55-0,
AC1L63SE,
CTK4B7912,
AKOS030253900,
MCULE-7410579873,
KS-00001M91,
3-(2-furyl)-1-(3-nitrophenyl)-prop-2-ene-1-one,
3-(furan-2-yl)-1-(3-nitrophenyl)prop-2-en-1-one,
NSC54630,
CID239776,
(2E)-3-(furan-2-yl)-1-(3-nitrophenyl)prop-2-en-1-one,
15462-51-8,
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| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.218g/mol |
| Monoisotopic Mass | 243.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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