| CAS Number | 55386-79-3 |
| Catalog Number | AG019D7V(AGN-PC-0WBB6C) |
| Chemical Name | Methyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate |
| IUPAC Name | methyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C11H10O5/c1-16-11(15)10(14)6-9(13)7-4-2-3-5-8(7)12/h2-5,12H,6H2,1H3 |
| InChI Key | RLAGNIDAPCQQAU-UHFFFAOYSA-N |
| MDL Number | MFCD01096171 |
| Molecular Formula | C11H10O5 |
| Molecular Weight | 222.1941 |
| SMILES | O=C(OC)C(=O)CC(=O)C=1C=CC=CC1O |
| Synonyms | methyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate,
55386-79-3,
methyl 4-(o-hydroxyphenyl)-2,4-dioxobutanoate,
Methyl 4-(2-hydroxyphenyl)-2,4-dioxo-butanoate,
AC1MQSN0,
SCHEMBL4263741,
MFCD01096171,
SBB023854,
STK347693,
AKOS000276330,
ZINC100802545,
MCULE-3809609595,
ST45115697,
EN300-230793,
Z234853698,
CID3506899,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.196g/mol |
| Monoisotopic Mass | 222.053g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number