| CAS Number | 6395-86-4 |
| Catalog Number | AG01FS3J(AGN-PC-0JT9ZW) |
| Chemical Name | 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester |
| IUPAC Name | methyl 2-oxo-4-phenylbut-3-enoate |
| InChI | InChI=1S/C11H10O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3 |
| InChI Key | ZWDYRZGSCHGREX-UHFFFAOYSA-N |
| MDL Number | MFCD28963029 |
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| SMILES | O=C(OC)C(/C=C/C1=CC=CC=C1)=O |
| Synonyms | methyl 2-oxo-4-phenylbut-3-enoate,
6395-86-4,
3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester,
CTK2A7754,
KS-00000UAF,
DTXSID40342557,
ZWDYRZGSCHGREX-UHFFFAOYSA-N,
methyl (E)-2-oxo-4-phenylbut-3-enoate,
2-oxo-4-phenylbutenoic acid methyl ester,
AK685036,
107969-78-8,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.062994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.19g/mol |
| Monoisotopic Mass | 190.062994g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.1 |
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