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164991-68-8 | 5-(1,3-Dioxolo[4,5-f]isoquinolin-8-yl)-1,3-benzodioxole-4-methanol
CAS No: 164991-68-8 Catalog No: AG00ANUA MDL No:MFCD28335324
Product Description
Catalog Number:
AG00ANUA
Chemical Name:
5-(1,3-Dioxolo[4,5-f]isoquinolin-8-yl)-1,3-benzodioxole-4-methanol
CAS Number:
164991-68-8
MDL Number:
MFCD28335324
IUPAC Name:
[5-([1,3]dioxolo[4,5-f]isoquinolin-8-yl)-1,3-benzodioxol-4-yl]methanol
InChI:
InChI=1S/C18H13NO5/c20-7-13-11(2-4-16-18(13)24-9-22-16)14-5-12-10(6-19-14)1-3-15-17(12)23-8-21-15/h1-6,20H,7-9H2
InChI Key:
GKOMWDNIMJHCDB-UHFFFAOYSA-N
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.304g/mol
Monoisotopic Mass:
323.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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