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72248-92-1 | 2-methylquinoline-3-carbonitrile
CAS No: 72248-92-1 Catalog No: AG005UMD MDL No:MFCD18803382
Product Description
Catalog Number:
AG005UMD
Chemical Name:
2-methylquinoline-3-carbonitrile
CAS Number:
72248-92-1
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
MDL Number:
MFCD18803382
IUPAC Name:
2-methylquinoline-3-carbonitrile
InChI:
InChI=1S/C11H8N2/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-6H,1H3
InChI Key:
FYIDOXAVHGPMLM-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccccc2nc1C
NSC Number:
114517
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:
2.3
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