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140865-97-0 | Ethanone, 1-(3,4-dihydro-8-hydroxy-2(1H)-isoquinolinyl)-
CAS No: 140865-97-0 Catalog No: AG001CX6 MDL No:
Product Description
Catalog Number:
AG001CX6
Chemical Name:
Ethanone, 1-(3,4-dihydro-8-hydroxy-2(1H)-isoquinolinyl)-
CAS Number:
140865-97-0
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
1-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C11H13NO2/c1-8(13)12-6-5-9-3-2-4-11(14)10(9)7-12/h2-4,14H,5-7H2,1H3
InChI Key:
OJWXEAAIIQCQFH-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)c(O)ccc2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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