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2090251-77-5 | 1-(6-ethyl-4-hydroxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CAS No: 2090251-77-5 Catalog No: AG01BT6G MDL No:
Product Description
Catalog Number:
AG01BT6G
Chemical Name:
1-(6-ethyl-4-hydroxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CAS Number:
2090251-77-5
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
InChI:
InChI=1S/C13H17NO2/c1-3-10-4-5-12-11(8-10)13(16)6-7-14(12)9(2)15/h4-5,8,13,16H,3,6-7H2,1-2H3
InChI Key:
HJDWTSJVKZPCHT-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)C(O)CCN2C(=O)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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