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1378483-74-9 | 5-methoxyquinoline-7-carbonitrile
CAS No: 1378483-74-9 Catalog No: AG00ILXF MDL No:
Product Description
Catalog Number:
AG00ILXF
Chemical Name:
5-methoxyquinoline-7-carbonitrile
CAS Number:
1378483-74-9
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
5-methoxyquinoline-7-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-14-11-6-8(7-12)5-10-9(11)3-2-4-13-10/h2-6H,1H3
InChI Key:
DKTHOHCVDRWLMH-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc2c1cccn2
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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