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55329-75-4 | 3-(3-ethoxy-7-methyl-isoquinolin-6-yl)propanenitrile
CAS No: 55329-75-4 Catalog No: AG00DTEN MDL No:
Product Description
Catalog Number:
AG00DTEN
Chemical Name:
3-(3-ethoxy-7-methyl-isoquinolin-6-yl)propanenitrile
CAS Number:
55329-75-4
IUPAC Name:
3-(3-ethoxy-7-methylisoquinolin-6-yl)propanenitrile
InChI:
InChI=1S/C15H16N2O/c1-3-18-15-9-13-8-12(5-4-6-16)11(2)7-14(13)10-17-15/h7-10H,3-5H2,1-2H3
InChI Key:
LCWUYDIBNSCHKS-UHFFFAOYSA-N
NSC Number:
300566
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.306g/mol
Monoisotopic Mass:
240.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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