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4959-88-0 | (7S)-3',4',6,8-Tetrahydro-7'-methoxy-2'-methyl-6-methylenespiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-6'-ol
CAS No: 4959-88-0 Catalog No: AG00E0GI MDL No:
Product Description
Catalog Number:
AG00E0GI
Chemical Name:
(7S)-3',4',6,8-Tetrahydro-7'-methoxy-2'-methyl-6-methylenespiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-6'-ol
CAS Number:
4959-88-0
IUPAC Name:
7-methoxy-2-methyl-6'-methylidenespiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-ol
InChI:
InChI=1S/C21H21NO4/c1-12-14-4-5-18-20(26-11-25-18)15(14)10-21(12)16-9-19(24-3)17(23)8-13(16)6-7-22(21)2/h4-5,8-9,23H,1,6-7,10-11H2,2-3H3
InChI Key:
MDAWGFZRYVVBAS-UHFFFAOYSA-N
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.402g/mol
Monoisotopic Mass:
351.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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