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1421601-05-9 | 2-(8-methylquinolin-3-yl)acetonitrile
CAS No: 1421601-05-9 Catalog No: AG01A075 MDL No:MFCD22391998
Product Description
Catalog Number:
AG01A075
Chemical Name:
2-(8-methylquinolin-3-yl)acetonitrile
CAS Number:
1421601-05-9
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
MDL Number:
MFCD22391998
IUPAC Name:
2-(8-methylquinolin-3-yl)acetonitrile
InChI:
InChI=1S/C12H10N2/c1-9-3-2-4-11-7-10(5-6-13)8-14-12(9)11/h2-4,7-8H,5H2,1H3
InChI Key:
QWMSIMLXPWQHAL-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1ncc(c2)CC#N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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