3-methylbutyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate
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3-methylbutyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate
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CAS No:
23824-29-5
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Formula:
C16H23NO4
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Chemical Name:
3-methylbutyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate
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Synonyms:
1-Isoquinolinecarboxylic acid,4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydro-,isopentyl ester; 1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-,isopentyl ester; 4,6-Dihydroxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid isopentyl ester;
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CAS No:
3-methylbutyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Basic Attributes
293.35800
293.16270821 g/mol
2933499090
Computed Properties
Molecular Weight:293.36
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:293.16270821
Monoisotopic Mass:293.16270821
Topological Polar Surface Area:70
Heavy Atom Count:21
Complexity:360
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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