| CAS Number | 52787-20-9 |
| Catalog Number | AG01FT6V(AGN-PC-00O3UF) |
| Chemical Name | Benzeneacetic acid, 3-(methoxycarbonyl)-, methyl ester |
| IUPAC Name | methyl 3-(2-methoxy-2-oxoethyl)benzoate |
| InChI | InChI=1S/C11H12O4/c1-14-10(12)7-8-4-3-5-9(6-8)11(13)15-2/h3-6H,7H2,1-2H3 |
| InChI Key | XYJVSCYQGXVUKN-UHFFFAOYSA-N |
| MDL Number | MFCD27635050 |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.2106 |
| SMILES | C(C(=O)OC)c1cc(C(=O)OC)ccc1 |
| Synonyms | methyl 3-(2-methoxy-2-oxoethyl)benzoate,
SCHEMBL2964543,
XYJVSCYQGXVUKN-UHFFFAOYSA-N,
ZINC34161405,
methyl 3-(methoxycarbonylmethyl)benzoate,
52787-20-9,
3-Methoxycarbonylbenzeneacetic acid methyl ester,
54484-95-6,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.073559g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.21g/mol |
| Monoisotopic Mass | 208.073559g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number