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20668-44-4 | Quinoline, 4-propyl-
CAS No: 20668-44-4 Catalog No: AG002IM5 MDL No:
Product Description
Catalog Number:
AG002IM5
Chemical Name:
Quinoline, 4-propyl-
CAS Number:
20668-44-4
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
4-propylquinoline
InChI:
InChI=1S/C12H13N/c1-2-5-10-8-9-13-12-7-4-3-6-11(10)12/h3-4,6-9H,2,5H2,1H3
InChI Key:
SYPQOZMXCWJIQU-UHFFFAOYSA-N
SMILES:
CCCc1ccnc2c1cccc2
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:
3.6
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