| CAS Number | 1263078-21-2 |
| Catalog Number | AG000SIQ(AGN-PC-0WCYMK) |
| Chemical Name | (R)-2-(4-Butylphenyl)-propionic acid |
| IUPAC Name | (2R)-2-(4-butylphenyl)propanoic acid |
| InChI | InChI=1S/C13H18O2/c1-3-4-5-11-6-8-12(9-7-11)10(2)13(14)15/h6-10H,3-5H2,1-2H3,(H,14,15)/t10-/m1/s1 |
| InChI Key | FEFPDZIYEWFQFK-SNVBAGLBSA-N |
| MDL Number | MFCD11053547 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.2808 |
| SMILES | CCCCC1=CC=C([C@H](C(O)=O)C)C=C1 |
| UNII | T3N3G493N5 |
| Synonyms | (R)-2-(4-Butylphenyl)-propionic acid,
1263078-21-2,
(R)-2-(4-Butylphenyl)propanoic acid,
UNII-T3N3G493N5,
T3N3G493N5,
Benzeneacetic acid, 4-butyl-alpha-methyl-, (alphaR)-,
p-Butylhydratropic acid, (R)-,
2-(p-Butylphenyl)propionic acid, (R)-,
MFCD11053547,
ZINC36157909,
AKOS027329274,
(R)-2-(4-Butyl-phenyl)-propionic acid,
AS-36411,
AX8266665,
X-3217,
UNII-KSG3G9J7OY component FEFPDZIYEWFQFK-SNVBAGLBSA-N,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.285g/mol |
| Monoisotopic Mass | 206.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number