2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetate
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2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetate
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CAS No:
68351-63-3
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Formula:
C11H11NO4
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Chemical Name:
2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetate
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Synonyms:
2-carb me-DIQ;2-carboxymethyl-6,7-dihydroxy-3,4-dihydroisoquinolinium;2-Carb me-diq;2-Carboxymethyl-6,7-dihydroxy-3,4-dihydroisoquinolinium;Isoquinolinium, 2-(carboxymethyl)-3,4-dihydro-6,7-dihydroxy-, hydroxide, inner salt;68351-63-3
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CAS No:
2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetate Basic Attributes
221.21 g/mol
221.06880783 g/mol
Computed Properties
Molecular Weight:221.21
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:221.06880783
Monoisotopic Mass:221.06880783
Topological Polar Surface Area:83.6
Heavy Atom Count:16
Complexity:310
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetate
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