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Home > Quinoline > 1156314-94-1
1156314-94-1 | 4-methoxyquinoline-3-carbonitrile
CAS No: 1156314-94-1 Catalog No: AG01AJHD MDL No:MFCD12115316
Product Description
Catalog Number:
AG01AJHD
Chemical Name:
4-methoxyquinoline-3-carbonitrile
CAS Number:
1156314-94-1
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD12115316
IUPAC Name:
4-methoxyquinoline-3-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-14-11-8(6-12)7-13-10-5-3-2-4-9(10)11/h2-5,7H,1H3
InChI Key:
JYQMTEGQTKXOTK-UHFFFAOYSA-N
SMILES:
COc1c(C#N)cnc2c1cccc2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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