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3340-71-4 | 7-methoxyisoquinoline-1-carbonitrile
CAS No: 3340-71-4 Catalog No: AG01BX5W MDL No:MFCD20038377
Product Description
Catalog Number:
AG01BX5W
Chemical Name:
7-methoxyisoquinoline-1-carbonitrile
CAS Number:
3340-71-4
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD20038377
IUPAC Name:
7-methoxyisoquinoline-1-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-14-9-3-2-8-4-5-13-11(7-12)10(8)6-9/h2-6H,1H3
InChI Key:
WKFWLTDDVHTHFS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C#N)ncc2
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:
2.1
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