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68727-50-4

68727-50-4 | 8-Isoquinolinol, 7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,3-dimethyl-

CAS No: 68727-50-4 Catalog No: AG005O9U MDL No:

Product Description

Catalog Number:
AG005O9U
Chemical Name:
8-Isoquinolinol, 7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,3-dimethyl-
CAS Number:
68727-50-4
Molecular Formula:
C24H23NO3
Molecular Weight:
373.4443
IUPAC Name:
7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol
InChI:
InChI=1S/C24H23NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-12,26H,1-5H3
InChI Key:
JTZHYHRJMAAGGY-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(OC)cc(c2c1ccc2c(c1O)c(C)nc(c2)C)C

Properties

Complexity:
528  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.168g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
373.452g/mol
Monoisotopic Mass:
373.168g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  

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