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1179148-80-1 | 6-Methoxyisoquinoline-1-carbonitrile
CAS No: 1179148-80-1 Catalog No: AG00HEB5 MDL No:
Product Description
Catalog Number:
AG00HEB5
Chemical Name:
6-Methoxyisoquinoline-1-carbonitrile
CAS Number:
1179148-80-1
IUPAC Name:
6-methoxyisoquinoline-1-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-14-9-2-3-10-8(6-9)4-5-13-11(10)7-12/h2-6H,1H3
InChI Key:
ZZBHBQQKLLJFOW-UHFFFAOYSA-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:
2.1
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