| CAS Number | 926268-05-5 |
| Catalog Number | AG00IHA4(AGN-PC-0WOKFS) |
| Chemical Name | 4,5-Dimethoxy-2-(2-oxopyrrolidin-1-yl)benzoic acid |
| IUPAC Name | 4,5-dimethoxy-2-(2-oxopyrrolidin-1-yl)benzoic acid |
| InChI | InChI=1S/C13H15NO5/c1-18-10-6-8(13(16)17)9(7-11(10)19-2)14-5-3-4-12(14)15/h6-7H,3-5H2,1-2H3,(H,16,17) |
| InChI Key | IQEAQDYYCKEESH-UHFFFAOYSA-N |
| MDL Number | MFCD09047062 |
| Molecular Formula | C13H15NO5 |
| Molecular Weight | 265.2619 |
| SMILES | COc1cc(N2CCCC2=O)c(cc1OC)C(=O)O |
| Synonyms | 4,5-Dimethoxy-2-(2-oxopyrrolidin-1-yl)benzoic acid,
926268-05-5,
ACMC-209rgx,
CTK6J8697,
DTXSID20588274,
ANW-39871,
MFCD09047062,
ZINC21968543,
AKOS000130636,
TC-128616,
V9204,
B-9359,
C13H15NO5,
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| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.265g/mol |
| Monoisotopic Mass | 265.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number