| CAS Number | 4940-37-8 |
| Catalog Number | AG01C3H8(AGN-PC-0S2ZX3) |
| Chemical Name | Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate |
| IUPAC Name | ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C12H12O5/c1-2-17-12(16)11(15)7-10(14)8-5-3-4-6-9(8)13/h3-6,13H,2,7H2,1H3 |
| InChI Key | PSFPQJSCHOSMAE-UHFFFAOYSA-N |
| MDL Number | MFCD02727521 |
| Molecular Formula | C12H12O5 |
| Molecular Weight | 236.2207 |
| SMILES | CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1O |
| Synonyms | Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate,
4940-37-8,
AC1L43IS,
SCHEMBL20438075,
PSFPQJSCHOSMAE-UHFFFAOYSA-N,
AKOS024261717,
ZINC100179540,
Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate #,
4-(2-Hydroxy-phenyl)-2,4-dioxobutyric acid, ethyl ester,
CID200041,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.223g/mol |
| Monoisotopic Mass | 236.068g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number