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Home > Quinoline > 161468-29-7
161468-29-7 | 4-Isoquinolinecarbonitrile,1-ethoxy-3-methyl-(9CI)
CAS No: 161468-29-7 Catalog No: AG00B3XK MDL No:
Product Description
Catalog Number:
AG00B3XK
Chemical Name:
4-Isoquinolinecarbonitrile,1-ethoxy-3-methyl-(9CI)
CAS Number:
161468-29-7
IUPAC Name:
1-ethoxy-3-methylisoquinoline-4-carbonitrile
InChI:
InChI=1S/C13H12N2O/c1-3-16-13-11-7-5-4-6-10(11)12(8-14)9(2)15-13/h4-7H,3H2,1-2H3
InChI Key:
LSXGUJQRTMYMFG-UHFFFAOYSA-N
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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