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96027-85-9 | Quinoline, 2-methyl-8-propyl-
CAS No: 96027-85-9 Catalog No: AG006TJ3 MDL No:
Product Description
Catalog Number:
AG006TJ3
Chemical Name:
Quinoline, 2-methyl-8-propyl-
CAS Number:
96027-85-9
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
2-methyl-8-propylquinoline
InChI:
InChI=1S/C13H15N/c1-3-5-11-6-4-7-12-9-8-10(2)14-13(11)12/h4,6-9H,3,5H2,1-2H3
InChI Key:
XKPDBDKEUYRIJS-UHFFFAOYSA-N
SMILES:
CCCc1cccc2c1nc(C)cc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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