4,5-Dimethoxy-2-(2-oxopyrrolidin-1-yl)benzoic acid - CAS 926268-05-5
Catalog: |
BB067532 |
Product Name: |
4,5-Dimethoxy-2-(2-oxopyrrolidin-1-yl)benzoic acid |
CAS: |
926268-05-5 |
Synonyms: |
4,5-Dimethoxy-2-(2-oxopyrrolidin-1-yl)benzoic acid;4,5-Dimethoxy-2-(2-oxopyrrolidin-1-yl)benzoicacid |
IUPAC Name: | 4,5-dimethoxy-2-(2-oxopyrrolidin-1-yl)benzoic acid |
Description: | 4,5-Dimethoxy-2-(2-oxopyrrolidin-1-yl)benzoic acid |
Molecular Weight: | 265.26 |
Molecular Formula: | C13H15NO5 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)O)N2CCCC2=O)OC |
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 |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.09502258 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.09502258 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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