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83246-80-4 | 8-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-4-methyl-
CAS No: 83246-80-4 Catalog No: AG004YYR MDL No:
Product Description
Catalog Number:
AG004YYR
Chemical Name:
8-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-4-methyl-
CAS Number:
83246-80-4
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
4-methyl-5,6,7,8-tetrahydroquinoline-8-carbonitrile
InChI:
InChI=1S/C11H12N2/c1-8-5-6-13-11-9(7-12)3-2-4-10(8)11/h5-6,9H,2-4H2,1H3
InChI Key:
XYLGEZCKCREMFZ-UHFFFAOYSA-N
SMILES:
N#CC1CCCc2c1nccc2C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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