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1421601-64-0 | 2-(6-methoxyquinolin-3-yl)acetonitrile
CAS No: 1421601-64-0 Catalog No: AG01A06U MDL No:MFCD22391991
Product Description
Catalog Number:
AG01A06U
Chemical Name:
2-(6-methoxyquinolin-3-yl)acetonitrile
CAS Number:
1421601-64-0
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD22391991
IUPAC Name:
2-(6-methoxyquinolin-3-yl)acetonitrile
InChI:
InChI=1S/C12H10N2O/c1-15-11-2-3-12-10(7-11)6-9(4-5-13)8-14-12/h2-3,6-8H,4H2,1H3
InChI Key:
CIRROQMNLZXYFH-UHFFFAOYSA-N
SMILES:
N#CCc1cnc2c(c1)cc(cc2)OC
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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