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178326-72-2 | 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-hydroxy-1-phenyl-, (1S)-
CAS No: 178326-72-2 Catalog No: AG0025XT MDL No:
Product Description
Catalog Number:
AG0025XT
Chemical Name:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-hydroxy-1-phenyl-, (1S)-
CAS Number:
178326-72-2
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
IUPAC Name:
(1S)-2-hydroxy-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
InChI:
InChI=1S/C17H16N2O/c20-19-11-10-14-13-8-4-5-9-15(13)18-16(14)17(19)12-6-2-1-3-7-12/h1-9,17-18,20H,10-11H2/t17-/m0/s1
InChI Key:
UEZOUWXMMQRQBJ-KRWDZBQOSA-N
SMILES:
ON1CCc2c([C@@H]1c1ccccc1)[nH]c1c2cccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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