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19051-05-9 | 2-Quinolinecarbonitrile, 3-methyl-
CAS No: 19051-05-9 Catalog No: AG002ELN MDL No:MFCD08705685
Product Description
Catalog Number:
AG002ELN
Chemical Name:
2-Quinolinecarbonitrile, 3-methyl-
CAS Number:
19051-05-9
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
MDL Number:
MFCD08705685
IUPAC Name:
3-methylquinoline-2-carbonitrile
InChI:
InChI=1S/C11H8N2/c1-8-6-9-4-2-3-5-10(9)13-11(8)7-12/h2-6H,1H3
InChI Key:
VOAMRGQXHVSGNM-UHFFFAOYSA-N
SMILES:
N#Cc1nc2ccccc2cc1C
NSC Number:
360235
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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