| CAS Number | 1260780-98-0 |
| Catalog Number | AG000R7R(AGN-PC-09RZV9) |
| Chemical Name | Methyl 3-methyl-4-(2-oxopyrrolidin-1-YL)benzoate |
| IUPAC Name | methyl 3-methyl-4-(2-oxopyrrolidin-1-yl)benzoate |
| InChI | InChI=1S/C13H15NO3/c1-9-8-10(13(16)17-2)5-6-11(9)14-7-3-4-12(14)15/h5-6,8H,3-4,7H2,1-2H3 |
| InChI Key | BSFMQXXDLRVIPF-UHFFFAOYSA-N |
| MDL Number | MFCD15527906 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | COC(=O)c1ccc(c(c1)C)N1CCCC1=O |
| Synonyms | METHYL 3-METHYL-4-(2-OXOPYRROLIDIN-1-YL)BENZOATE,
1260780-98-0,
ACMC-209b1g,
CTK8A9617,
DTXSID30697528,
4985AA,
ANW-18578,
MFCD15527906,
ZINC85210085,
CJ-22231,
SC-55706,
AJ-126416,
AX8243124,
TC-107323,
B-8896,
Benzoic acid, 3-methyl-4-(2-oxo-1-pyrrolidinyl)-, methyl ester,
C13H15NO3,
Methyl3-methyl-4-(2-oxopyrrolidin-1-yl)benzoate,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number