| CAS Number | 1206109-89-8 |
| Catalog Number | AG00HFJ3(AGN-PC-0WCUNP) |
| Chemical Name | Butyl 4-(2-methoxy-2-oxoethoxy)benzoate |
| IUPAC Name | butyl 4-(2-methoxy-2-oxoethoxy)benzoate |
| InChI | InChI=1S/C14H18O5/c1-3-4-9-18-14(16)11-5-7-12(8-6-11)19-10-13(15)17-2/h5-8H,3-4,9-10H2,1-2H3 |
| InChI Key | NXJFSWDBPLGBKY-UHFFFAOYSA-N |
| MDL Number | MFCD13704507 |
| Molecular Formula | C14H18O5 |
| Molecular Weight | 266.2897 |
| SMILES | CCCCOC(=O)c1ccc(cc1)OCC(=O)OC |
| Synonyms | butyl 4-(2-methoxy-2-oxoethoxy)benzoate,
1206109-89-8,
ALBB-024596,
MFCD13704507,
ZINC40545216,
AKOS015998267,
MCULE-9268355085,
methyl 2-[4-(butoxycarbonyl)phenoxy]acetate,
ST45009084,
T3444,
benzoic acid, 4-(2-methoxy-2-oxoethoxy)-, butyl ester,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.293g/mol |
| Monoisotopic Mass | 266.115g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number