| CAS Number | 1119407-35-0 |
| Catalog Number | AG01EH9T(AGN-PC-3H45F6) |
| Chemical Name | Methyl 4-[(pyrrolidine-1-sulfonyl)methyl]benzoate |
| IUPAC Name | methyl 4-(pyrrolidin-1-ylsulfonylmethyl)benzoate |
| InChI | InChI=1S/C13H17NO4S/c1-18-13(15)12-6-4-11(5-7-12)10-19(16,17)14-8-2-3-9-14/h4-7H,2-3,8-10H2,1H3 |
| InChI Key | MCJNVETYYAJFEL-UHFFFAOYSA-N |
| MDL Number | MFCD13960330 |
| Molecular Formula | C13H17NO4S |
| Molecular Weight | 283.3434 |
| SMILES | COC(=O)c1ccc(cc1)CS(=O)(=O)N1CCCC1 |
| Synonyms | METHYL 4-[(PYRROLIDINE-1-SULFONYL)METHYL]BENZOATE,
1119407-35-0,
ZX-AH035716,
ZINC22532429,
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| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.342g/mol |
| Monoisotopic Mass | 283.088g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number