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72710-51-1 | 1-Isobenzofuranol, 1,3-dihydro-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-m ethyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-
CAS No: 72710-51-1 Catalog No: AG00FT78 MDL No:
Product Description
Catalog Number:
AG00FT78
Chemical Name:
1-Isobenzofuranol, 1,3-dihydro-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-m ethyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-
CAS Number:
72710-51-1
IUPAC Name:
6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol
InChI:
InChI=1S/C21H23NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3
InChI Key:
XTDWLNWSHCDAQM-UHFFFAOYSA-N
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.153g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.416g/mol
Monoisotopic Mass:
385.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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