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79858-24-5

79858-24-5 | 2-(1-cyclohexen-1-ylcarbonyl)-1,2-dihydro-1-isoquinolinecarbonitrile

CAS No: 79858-24-5 Catalog No: AG00G8MF MDL No:

Product Description

Catalog Number:
AG00G8MF
Chemical Name:
2-(1-cyclohexen-1-ylcarbonyl)-1,2-dihydro-1-isoquinolinecarbonitrile
CAS Number:
79858-24-5
IUPAC Name:
2-(cyclohexene-1-carbonyl)-1H-isoquinoline-1-carbonitrile
InChI:
InChI=1S/C17H16N2O/c18-12-16-15-9-5-4-6-13(15)10-11-19(16)17(20)14-7-2-1-3-8-14/h4-7,9-11,16H,1-3,8H2
InChI Key:
TWPVSKQOCKYSJE-UHFFFAOYSA-N

Properties

Complexity:
496  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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