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76602-24-9 | 4-ethyl-2-methyl-quinoline
CAS No: 76602-24-9 Catalog No: AG005JAR MDL No:
Product Description
Catalog Number:
AG005JAR
Chemical Name:
4-ethyl-2-methyl-quinoline
CAS Number:
76602-24-9
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
4-ethyl-2-methylquinoline
InChI:
InChI=1S/C12H13N/c1-3-10-8-9(2)13-12-7-5-4-6-11(10)12/h4-8H,3H2,1-2H3
InChI Key:
UNCNHFIHYIDOIF-UHFFFAOYSA-N
SMILES:
CCc1cc(C)nc2c1cccc2
Properties
Complexity:
167
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:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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