| CAS Number | 1197834-98-2 |
| Catalog Number | AG01AURD |
| Chemical Name | 2-(4-methoxyphenyl)-2-oxoethyl 2-hydroxy-5-methylbenzoate |
| IUPAC Name | [2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate |
| InChI | InChI=1S/C17H16O5/c1-11-3-8-15(18)14(9-11)17(20)22-10-16(19)12-4-6-13(21-2)7-5-12/h3-9,18H,10H2,1-2H3 |
| InChI Key | BLBCTMGFGIFKTC-UHFFFAOYSA-N |
| MDL Number | MFCD13518975 |
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.3059 |
| SMILES | COC1=CC=C(C(COC(C2=C(O)C=CC(C)=C2)=O)=O)C=C1 |
| Synonyms | 2-(4-methoxyphenyl)-2-oxoethyl 2-hydroxy-5-methylbenzoate,
1197834-98-2,
CHEMBL3410747,
AC1PH2SK,
SCHEMBL18815042,
ZINC7839950,
BDBM50071812,
AKOS033068370,
MCULE-9426508645,
Z112959684,
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate,
ZINC07839950,
CID8958571,
|
| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.31g/mol |
| Monoisotopic Mass | 300.1g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number