| CAS Number | 260969-02-6 |
| Catalog Number | AG002RMT(AGN-PC-0WCXXX) |
| Chemical Name | Methyl 3-(3-iodophenyl)-3-oxopropanoate |
| IUPAC Name | methyl 3-(3-iodophenyl)-3-oxopropanoate |
| InChI | InChI=1S/C10H9IO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3 |
| InChI Key | KWKDVTLCPLPCLT-UHFFFAOYSA-N |
| MDL Number | MFCD03424776 |
| Molecular Formula | C10H9IO3 |
| Molecular Weight | 304.0811 |
| SMILES | C(CC(=O)OC)(C1=CC(I)=CC=C1)=O |
| Synonyms | methyl 3-(3-iodophenyl)-3-oxopropanoate,
260969-02-6,
3-(3-Iodo-phenyl)-3-oxo-propionic acid methyl ester,
AC1MC094,
CTK6J1674,
ZINC2575877,
ACM260969026,
AX8271869,
RT-019415,
3-iodo-beta-oxo-benzenepropanoic acid methyl ester,
3-(3-iodo-phenyl)-3-oxo-propanoic acid methyl ester,
Benzenepropanoic acid, 3-iodo-beta-oxo-, methyl ester,
3-(3-IODO-PHENYL)-3-OXO-PROPIONIC ACID METHYLESTER,
ZINC02575877,
CID2759371,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.083g/mol |
| Monoisotopic Mass | 303.96g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number