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86952-78-5 | Quinoline, 2,3,4-trimethyl-8-(1-methylethyl)-
CAS No: 86952-78-5 Catalog No: AG004O76 MDL No:
Product Description
Catalog Number:
AG004O76
Chemical Name:
Quinoline, 2,3,4-trimethyl-8-(1-methylethyl)-
CAS Number:
86952-78-5
Molecular Formula:
C15H19N
Molecular Weight:
213.3181
IUPAC Name:
2,3,4-trimethyl-8-propan-2-ylquinoline
InChI:
InChI=1S/C15H19N/c1-9(2)13-7-6-8-14-11(4)10(3)12(5)16-15(13)14/h6-9H,1-5H3
InChI Key:
IECWBAZGQUYFIN-UHFFFAOYSA-N
SMILES:
Cc1nc2c(cccc2c(c1C)C)C(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.324g/mol
Monoisotopic Mass:
213.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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