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17692-04-5 | Quinoline, 3-pentyl-
CAS No: 17692-04-5 Catalog No: AG0024ZS MDL No:
Product Description
Catalog Number:
AG0024ZS
Chemical Name:
Quinoline, 3-pentyl-
CAS Number:
17692-04-5
Molecular Formula:
C14H17N
Molecular Weight:
199.2915
IUPAC Name:
3-pentylquinoline
InChI:
InChI=1S/C14H17N/c1-2-3-4-7-12-10-13-8-5-6-9-14(13)15-11-12/h5-6,8-11H,2-4,7H2,1H3
InChI Key:
XQGPXSFBKUTAGY-UHFFFAOYSA-N
SMILES:
CCCCCc1cnc2c(c1)cccc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.297g/mol
Monoisotopic Mass:
199.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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