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90861-84-0 | 4-Isoquinolinol, 1,2,3,4-tetrahydro-1-phenyl-, trans-
CAS No: 90861-84-0 Catalog No: AG006H6Y MDL No:
Product Description
Catalog Number:
AG006H6Y
Chemical Name:
4-Isoquinolinol, 1,2,3,4-tetrahydro-1-phenyl-, trans-
CAS Number:
90861-84-0
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
1-phenyl-1,2,3,4-tetrahydroisoquinolin-4-ol
InChI:
InChI=1S/C15H15NO/c17-14-10-16-15(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14/h1-9,14-17H,10H2
InChI Key:
CJDAAEDVKRKQSN-UHFFFAOYSA-N
SMILES:
O[C@@H]1CN[C@H](c2c1cccc2)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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