| CAS Number | 15572-03-9 |
| Catalog Number | AG01A4ZK |
| Chemical Name | 4-(2-chloro-4-methoxyphenyl)-4-oxobutanoic acid |
| IUPAC Name | 4-(2-chloro-4-methoxyphenyl)-4-oxobutanoic acid |
| InChI | InChI=1S/C11H11ClO4/c1-16-7-2-3-8(9(12)6-7)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15) |
| InChI Key | HBKJAIYXCUJBOC-UHFFFAOYSA-N |
| MDL Number | MFCD12139104 |
| Molecular Formula | C11H11ClO4 |
| Molecular Weight | 242.6556 |
| SMILES | COC1=CC(Cl)=C(C(CCC(O)=O)=O)C=C1 |
| Synonyms | 4-(2-chloro-4-methoxyphenyl)-4-oxobutanoic acid,
15572-03-9,
ZINC36767444,
AKOS009583762,
MCULE-5450607399,
NE48320,
Z1639396989,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.655g/mol |
| Monoisotopic Mass | 242.035g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number