| CAS Number | 73120-67-9 |
| Catalog Number | AG00VTY0(AGN-PC-0U27YA) |
| Chemical Name | 4-(4-isobutylphenyl)-4-oxobutanoic acid |
| IUPAC Name | 4-[4-(2-methylpropyl)phenyl]-4-oxobutanoic acid |
| InChI | InChI=1S/C14H18O3/c1-10(2)9-11-3-5-12(6-4-11)13(15)7-8-14(16)17/h3-6,10H,7-9H2,1-2H3,(H,16,17) |
| InChI Key | VTSCHNAWJCRJJG-UHFFFAOYSA-N |
| MDL Number | MFCD09803960 |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.2909 |
| SMILES | CC(CC1=CC=C(C(CCC(O)=O)=O)C=C1)C |
| Synonyms | 73120-67-9,
4-(4-isobutylphenyl)-4-oxobutanoic acid,
4-[4-(2-methylpropyl)phenyl]-4-oxobutanoic acid,
Benzenebutanoic acid, 4-(2-methylpropyl)-gamma-oxo-,
4-[4-(2-methylpropyl)phenyl]-4-oxo-butanoic acid,
3-(4-isobutylbenzoyl)propionic acid,
AC1L4FAO,
AC1Q1P7Y,
SCHEMBL3526490,
CTK2H9394,
DTXSID00223393,
ZINC5760133,
AKOS000152138,
MCULE-3656039967,
NE14470,
4-(4-Isobutylphenyl)-4-oxobutyric acid,
4-(4-iso-Butylphenyl)-4-oxobutyric acid,
EN300-39820,
CID155954,
Bis(3'-5')cyclic diuridine monophosphate,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.295g/mol |
| Monoisotopic Mass | 234.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number