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72406-58-7 | Quinoline, 2-ethyl-6-methoxy-3-methyl-
CAS No: 72406-58-7 Catalog No: AG005HLN MDL No:
Product Description
Catalog Number:
AG005HLN
Chemical Name:
Quinoline, 2-ethyl-6-methoxy-3-methyl-
CAS Number:
72406-58-7
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
2-ethyl-6-methoxy-3-methylquinoline
InChI:
InChI=1S/C13H15NO/c1-4-12-9(2)7-10-8-11(15-3)5-6-13(10)14-12/h5-8H,4H2,1-3H3
InChI Key:
BYJABVCALPBAKU-UHFFFAOYSA-N
SMILES:
CCc1nc2ccc(cc2cc1C)OC
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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