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675881-83-1 | 1,3-Dioxolo[4,5-f]isoquinoline, 6-[(3,4-dimethoxyphenyl)methyl]-
CAS No: 675881-83-1 Catalog No: AG005M6Z MDL No:
Product Description
Catalog Number:
AG005M6Z
Chemical Name:
1,3-Dioxolo[4,5-f]isoquinoline, 6-[(3,4-dimethoxyphenyl)methyl]-
CAS Number:
675881-83-1
Molecular Formula:
C19H17NO4
Molecular Weight:
323.3426
IUPAC Name:
6-[(3,4-dimethoxyphenyl)methyl]-[1,3]dioxolo[4,5-f]isoquinoline
InChI:
InChI=1S/C19H17NO4/c1-21-16-5-3-12(10-18(16)22-2)9-15-13-4-6-17-19(24-11-23-17)14(13)7-8-20-15/h3-8,10H,9,11H2,1-2H3
InChI Key:
OEZUKVADHZKJBR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)Cc1nccc2c1ccc1c2OCO1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.348g/mol
Monoisotopic Mass:
323.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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