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20668-43-3 | Quinoline, 3-propyl-
CAS No: 20668-43-3 Catalog No: AG002IM6 MDL No:
Product Description
Catalog Number:
AG002IM6
Chemical Name:
Quinoline, 3-propyl-
CAS Number:
20668-43-3
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
3-propylquinoline
InChI:
InChI=1S/C12H13N/c1-2-5-10-8-11-6-3-4-7-12(11)13-9-10/h3-4,6-9H,2,5H2,1H3
InChI Key:
ANBUXLFLKGJLEL-UHFFFAOYSA-N
SMILES:
CCCc1cnc2c(c1)cccc2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.243g/mol
Monoisotopic Mass:
171.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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