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600646-68-2 | 6-Isoquinolinol,1,2,3,4-tetrahydro-1-(2-thienyl)-(9CI)
CAS No: 600646-68-2 Catalog No: AG00EZDF MDL No:
Product Description
Catalog Number:
AG00EZDF
Chemical Name:
6-Isoquinolinol,1,2,3,4-tetrahydro-1-(2-thienyl)-(9CI)
CAS Number:
600646-68-2
IUPAC Name:
1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
InChI:
InChI=1S/C13H13NOS/c15-10-3-4-11-9(8-10)5-6-14-13(11)12-2-1-7-16-12/h1-4,7-8,13-15H,5-6H2
InChI Key:
RBCUOBUHBWNSCZ-UHFFFAOYSA-N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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