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198218-87-0 | 2-Quinolinecarbonitrile, 1,2,3,4-tetrahydro-1-methyl-
CAS No: 198218-87-0 Catalog No: AG002BDK MDL No:
Product Description
Catalog Number:
AG002BDK
Chemical Name:
2-Quinolinecarbonitrile, 1,2,3,4-tetrahydro-1-methyl-
CAS Number:
198218-87-0
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
1-methyl-3,4-dihydro-2H-quinoline-2-carbonitrile
InChI:
InChI=1S/C11H12N2/c1-13-10(8-12)7-6-9-4-2-3-5-11(9)13/h2-5,10H,6-7H2,1H3
InChI Key:
ZXYNWPDICURWBV-UHFFFAOYSA-N
SMILES:
N#CC1CCc2c(N1C)cccc2
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:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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