| CAS Number | 881189-62-4 |
| Catalog Number | AG00GY67(AGN-PC-07XT10) |
| Chemical Name | 3-(3-Fluoro-4-methylphenyl)propanoic acid |
| IUPAC Name | 3-(3-fluoro-4-methylphenyl)propanoic acid |
| InChI | InChI=1S/C10H11FO2/c1-7-2-3-8(6-9(7)11)4-5-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13) |
| InChI Key | DYVQAEHNFXNAEH-UHFFFAOYSA-N |
| MDL Number | MFCD09025364 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | CC1=C(F)C=C(CCC(O)=O)C=C1 |
| Synonyms | 881189-62-4,
3-(3-fluoro-4-methylphenyl)propanoic acid,
3-(3-FLUORO-4-METHYLPHENYL)PROPIONIC ACID,
MFCD09025364,
F9995-1020,
SCHEMBL585740,
CTK7J3032,
SBB089902,
STL302091,
ZINC36294296,
AKOS012535926,
JS-4556,
MCULE-9844554977,
CS-0061173,
3-(3-fluoro-4-methyl-phenyl)-propionic acid,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.194g/mol |
| Monoisotopic Mass | 182.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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UN Code
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Certificate of Analysis
Lot Number