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Catalog Number | ACMA00027297 |
Synonyms | 1-[2-(1H-Pyrrole-2-carbonyloxy)ethyl]pyridin-1-ium-3-carboxylic acid |
Molecular Weight | 261.25 |
InChI | InChI=1S/C13H12N2O4/c16-12(17)10-3-2-6-15(9-10)7-8-19-13(18)11-4-1-5-14-11/h1-6,9H,7-8H2,(H-,14,16,17,18)/p+1 |
InChI Key | ACUMEVBOTRCLRK-UHFFFAOYSA-O |
Purity | 90%+ |
Complexity | 335 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 0 |
Exact Mass | 261.0875319 |
Heavy Atom Count | 19 |
Hydrogen Bond Acceptor Count | 4 |
Hydrogen Bond Donor Count | 2 |
Monoisotopic Mass | 261.0875319 |
Rotatable Bond Count | 6 |
Topological Polar Surface Area | 83.3 Ų |
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