| CAS Number | 24090-21-9 |
| Catalog Number | AG00BGHB(AGN-PC-0R01A2) |
| Chemical Name | 3-[5-(2-Fluorophenyl)-2-furyl]propanoic acid |
| IUPAC Name | 3-[5-(2-fluorophenyl)furan-2-yl]propanoic acid |
| InChI | InChI=1S/C13H11FO3/c14-11-4-2-1-3-10(11)12-7-5-9(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16) |
| InChI Key | KUMBITMQUAOMGM-UHFFFAOYSA-N |
| MDL Number | MFCD07355754 |
| Molecular Formula | C13H11FO3 |
| Molecular Weight | 234.2230 |
| SMILES | OC(CCC1OC(C2=C(F)C=CC=C2)=CC=1)=O |
| Synonyms | 3-[5-(2-fluorophenyl)-2-furyl]propanoic Acid,
24090-21-9,
3-[5-(2-fluorophenyl)furan-2-yl]propanoic acid,
3-(5-(2-Fluorophenyl)furan-2-yl)propanoic acid,
AC1OFL30,
AC1Q758O,
CTK4F2904,
DTXSID30427908,
HMS1758L13,
ZINC4218682,
MFCD07355754,
SBB078950,
AKOS005137789,
MCULE-7086728592,
NE36876,
2-Furanpropanoic acid,5-(2-fluorophenyl)-,
EN300-14974,
Z118257502,
CID7131276,
3-[5- -2-FURYL]PROPANOICACID,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.226g/mol |
| Monoisotopic Mass | 234.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number