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87870-08-4 | 6-Isoquinolinecarbonitrile, 3,4-dihydro-1,4-dimethyl-
CAS No: 87870-08-4 Catalog No: AG004IW6 MDL No:
Product Description
Catalog Number:
AG004IW6
Chemical Name:
6-Isoquinolinecarbonitrile, 3,4-dihydro-1,4-dimethyl-
CAS Number:
87870-08-4
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
1,4-dimethyl-3,4-dihydroisoquinoline-6-carbonitrile
InChI:
InChI=1S/C12H12N2/c1-8-7-14-9(2)11-4-3-10(6-13)5-12(8)11/h3-5,8H,7H2,1-2H3
InChI Key:
IMZQMKFIHHPROC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(C)CN=C2C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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