[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
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![[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9027ad02eaa946efaef83d5f4442d58f.png "[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate")
[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
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CAS No:
748030-33-3
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Formula:
C22H20N2O6
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Chemical Name:
[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
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Synonyms:
ZINC2642951;AKOS033647442;Z18882671;4-[(2-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethoxy)carbonyl]pyridin-1-ium-1-olate;748030-33-3
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CAS No:
[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Basic Attributes
408.4 g/mol
408.13213636 g/mol
Computed Properties
Molecular Weight:408.4
XLogP3:2.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:408.13213636
Monoisotopic Mass:408.13213636
Topological Polar Surface Area:92.2
Heavy Atom Count:30
Complexity:623
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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