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1817630-36-6 | 7-methoxyisoquinoline-6-carbonitrile
CAS No: 1817630-36-6 Catalog No: AG01DI27 MDL No:
Product Description
Catalog Number:
AG01DI27
Chemical Name:
7-methoxyisoquinoline-6-carbonitrile
CAS Number:
1817630-36-6
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
7-methoxyisoquinoline-6-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-14-11-5-10-7-13-3-2-8(10)4-9(11)6-12/h2-5,7H,1H3
InChI Key:
YMXODVXRJQQEAL-UHFFFAOYSA-N
SMILES:
COc1cc2cnccc2cc1C#N
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:
1.8
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