(2S)-4-[(E)-2-(5,6-dihydroxyindol-1-yl)ethenyl]-1,2-dihydropyridine-2-carboxylic acid
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![(2S)-4-[(E)-2-(5,6-dihydroxyindol-1-yl)ethenyl]-1,2-dihydropyridine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dfea8b74e83f465d9fa570739aecc3de.png "(2S)-4-[(E)-2-(5,6-dihydroxyindol-1-yl)ethenyl]-1,2-dihydropyridine-2-carboxylic acid")
(2S)-4-[(E)-2-(5,6-dihydroxyindol-1-yl)ethenyl]-1,2-dihydropyridine-2-carboxylic acid
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CAS No:
1345508-56-6
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Formula:
C16H14N2O4
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Chemical Name:
(2S)-4-[(E)-2-(5,6-dihydroxyindol-1-yl)ethenyl]-1,2-dihydropyridine-2-carboxylic acid
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Synonyms:
(S)-4-(2-(5,6-Dihydroxy-1H-indol-1-yl)vinyl)-1,2-dihydropyridine-2-carboxylic acid;1345508-56-6
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CAS No:
(2S)-4-[(E)-2-(5,6-dihydroxyindol-1-yl)ethenyl]-1,2-dihydropyridine-2-carboxylic acid Basic Attributes
298.29 g/mol
298.09535693 g/mol
Computed Properties
Molecular Weight:298.29
XLogP3:1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:298.09535693
Monoisotopic Mass:298.09535693
Topological Polar Surface Area:94.7
Heavy Atom Count:22
Complexity:528
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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