| CAS Number | 190595-67-6 |
| Catalog Number | AG002ENH(AGN-PC-0O638G) |
| Chemical Name | (E)-5-(4-Fluorophenyl)pent-4-enoic acid |
| IUPAC Name | (E)-5-(4-fluorophenyl)pent-4-enoic acid |
| InChI | InChI=1S/C11H11FO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1,3,5-8H,2,4H2,(H,13,14)/b3-1+ |
| InChI Key | RFDQZGBDIZQZKE-HNQUOIGGSA-N |
| MDL Number | MFCD08460205 |
| Molecular Formula | C11H11FO2 |
| Molecular Weight | 194.2022 |
| SMILES | OC(CCC=CC1=CC=C(F)C=C1)=O |
| Synonyms | 5-(4-FLUOROPHENYL)-4-PENTENOIC ACID,
190595-67-6,
(E)-5-(4-fluorophenyl)pent-4-enoic acid,
4-PENTENOIC ACID-5-(4-FLUOROPHENYL),
SCHEMBL727447,
ZINC41206591,
AKOS006289958,
CC-20738,
595P676,
C-34918,
I14-41859,
4-Pentenoicacid,5-(4-fluorophenyl),
5-(4-fluorophenyl)pent-4-enoic acid,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 194.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.205g/mol |
| Monoisotopic Mass | 194.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number