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18029-60-2 | 4-Isoquinolinecarbonitrile, 1,2-dihydro-6,7-dimethoxy-1-oxo-
CAS No: 18029-60-2 Catalog No: AG0021W3 MDL No:
Product Description
Catalog Number:
AG0021W3
Chemical Name:
4-Isoquinolinecarbonitrile, 1,2-dihydro-6,7-dimethoxy-1-oxo-
CAS Number:
18029-60-2
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
6,7-dimethoxy-1-oxo-2H-isoquinoline-4-carbonitrile
InChI:
InChI=1S/C12H10N2O3/c1-16-10-3-8-7(5-13)6-14-12(15)9(8)4-11(10)17-2/h3-4,6H,1-2H3,(H,14,15)
InChI Key:
VCJUYHSVVQIYBW-UHFFFAOYSA-N
SMILES:
COc1cc2c(C#N)c[nH]c(=O)c2cc1OC
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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