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159682-27-6 | 1-(4-hydroxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CAS No: 159682-27-6 Catalog No: AG01C0JE MDL No:MFCD20318879
Product Description
Catalog Number:
AG01C0JE
Chemical Name:
1-(4-hydroxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CAS Number:
159682-27-6
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD20318879
IUPAC Name:
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
InChI:
InChI=1S/C11H13NO2/c1-8(13)12-7-6-11(14)9-4-2-3-5-10(9)12/h2-5,11,14H,6-7H2,1H3
InChI Key:
ZHDFKTDSAJVNNR-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCC(c2c1cccc2)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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