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73251-21-5 | 2-hydroxy-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
CAS No: 73251-21-5 Catalog No: AG01A8IE MDL No:MFCD08442769
Product Description
Catalog Number:
AG01A8IE
Chemical Name:
2-hydroxy-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
CAS Number:
73251-21-5
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD08442769
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
InChI:
InChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2
InChI Key:
GAWPDYDIDUAIGZ-UHFFFAOYSA-N
SMILES:
OCC(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
217
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:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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