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111678-27-4 | 3-(2-Cyclohexenyl)quinoline
CAS No: 111678-27-4 Catalog No: AG01FFCP MDL No:
Product Description
Catalog Number:
AG01FFCP
Chemical Name:
3-(2-Cyclohexenyl)quinoline
CAS Number:
111678-27-4
Molecular Formula:
C15H15N
Molecular Weight:
209.2863
IUPAC Name:
3-cyclohex-2-en-1-ylquinoline
InChI:
InChI=1S/C15H15N/c1-2-6-12(7-3-1)14-10-13-8-4-5-9-15(13)16-11-14/h2,4-6,8-12H,1,3,7H2
InChI Key:
ZGYHMYVTIXYATQ-UHFFFAOYSA-N
SMILES:
C1CCC(C=C1)c1cnc2c(c1)cccc2
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:
4.2
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