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68881-60-7

68881-60-7 | 1-Isoquinolinecarbonitrile, 6,7-dimethoxy-

CAS No: 68881-60-7 Catalog No: AG006FZ1 MDL No:

Product Description

Catalog Number:
AG006FZ1
Chemical Name:
1-Isoquinolinecarbonitrile, 6,7-dimethoxy-
CAS Number:
68881-60-7
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
6,7-dimethoxyisoquinoline-1-carbonitrile
InChI:
InChI=1S/C12H10N2O2/c1-15-11-5-8-3-4-14-10(7-13)9(8)6-12(11)16-2/h3-6H,1-2H3
InChI Key:
JWFZIKVNGNGVEI-UHFFFAOYSA-N
SMILES:
COc1cc2c(C#N)nccc2cc1OC

Properties

Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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