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92735-81-4 | 8-methoxyquinoline-2-carbonitrile
CAS No: 92735-81-4 Catalog No: AG00J8QA MDL No:MFCD19285349
Product Description
Catalog Number:
AG00J8QA
Chemical Name:
8-methoxyquinoline-2-carbonitrile
CAS Number:
92735-81-4
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD19285349
IUPAC Name:
8-methoxyquinoline-2-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-14-10-4-2-3-8-5-6-9(7-12)13-11(8)10/h2-6H,1H3
InChI Key:
GDSMTLWIGALEHM-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(C#N)cc2
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:
2.2
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