(2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate
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(2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate
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CAS No:
97581-08-3
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Formula:
C18H19NO6
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Chemical Name:
(2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate
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Synonyms:
N-formyl-1,2-dihydrorenierone; FDHR; InChI=1/C18H19NO6/c1-5-10(2)18(23)25-8-13-14-12(6-7-19(13)9-20)15(21)11(3)17(24-4)16(14)22/h5-7,9,13H,8H2,1-4H3/b10-5; (2-formyl-1,2,5,8-tetrahydro-7-methoxy-6-methyl-5,8-dioxo-1-isoquinolinyl)methyl (2Z)-2-methyl-2-butenoate; 2-Butenoic acid,2-methyl-,(2-formyl-1,2,5,8-tetrahydro-7-methoxy-6-methyl-5,8-dioxo-1-isoquinolinyl)methyl ester,(Z); VRZJVUPPQWDFAC-YHYXMXQVSA;Expand
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CAS No:
(2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate Basic Attributes
345.34700
345.12123733
Computed Properties
Molecular Weight:345.3
XLogP3:1.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:345.12123733
Monoisotopic Mass:345.12123733
Topological Polar Surface Area:90
Heavy Atom Count:25
Complexity:768
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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