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91133-00-5 | 1-(5-hydroxy-3,4-dihydroisoquinolin-2(1h)-yl)ethanone
CAS No: 91133-00-5 Catalog No: AG006QO3 MDL No:
Product Description
Catalog Number:
AG006QO3
Chemical Name:
1-(5-hydroxy-3,4-dihydroisoquinolin-2(1h)-yl)ethanone
CAS Number:
91133-00-5
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
1-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C11H13NO2/c1-8(13)12-6-5-10-9(7-12)3-2-4-11(10)14/h2-4,14H,5-7H2,1H3
InChI Key:
NRIFDXFEURZCNG-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)cccc2O
NSC Number:
142675
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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