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924962-08-3 | 4-METHYLQUINOLINE-6-CARBONITRILE
CAS No: 924962-08-3 Catalog No: AG00IH66 MDL No:
Product Description
Catalog Number:
AG00IH66
Chemical Name:
4-METHYLQUINOLINE-6-CARBONITRILE
CAS Number:
924962-08-3
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
4-methylquinoline-6-carbonitrile
InChI:
InChI=1S/C11H8N2/c1-8-4-5-13-11-3-2-9(7-12)6-10(8)11/h2-6H,1H3
InChI Key:
AXQBQWNSWXTDCR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(C)ccn2
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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