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123612-50-0 | Quinoline, 2-butyl-1,2-dihydro-
CAS No: 123612-50-0 Catalog No: AG000KUU MDL No:
Product Description
Catalog Number:
AG000KUU
Chemical Name:
Quinoline, 2-butyl-1,2-dihydro-
CAS Number:
123612-50-0
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-butyl-1,2-dihydroquinoline
InChI:
InChI=1S/C13H17N/c1-2-3-7-12-10-9-11-6-4-5-8-13(11)14-12/h4-6,8-10,12,14H,2-3,7H2,1H3
InChI Key:
KQRMRAPLFTXHFF-UHFFFAOYSA-N
SMILES:
CCCCC1C=Cc2c(N1)cccc2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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