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111678-37-6 | 4-(2-Cyclohexenyl)isoquinoline
CAS No: 111678-37-6 Catalog No: AG01FEZG MDL No:
Product Description
Catalog Number:
AG01FEZG
Chemical Name:
4-(2-Cyclohexenyl)isoquinoline
CAS Number:
111678-37-6
Molecular Formula:
C15H15N
Molecular Weight:
209.2863
IUPAC Name:
4-cyclohex-2-en-1-ylisoquinoline
InChI:
InChI=1S/C15H15N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h2,4-6,8-12H,1,3,7H2
InChI Key:
MIWJYLFRRZNJFA-UHFFFAOYSA-N
SMILES:
C1CCC(C=C1)c1cncc2c1cccc2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.12g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.292g/mol
Monoisotopic Mass:
209.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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