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827310-28-1 | 8-Isoquinolinol, 1,2,3,4-tetrahydro-2-[2-(phenylmethoxy)propyl]-
CAS No: 827310-28-1 Catalog No: AG008JBH MDL No:
Product Description
Catalog Number:
AG008JBH
Chemical Name:
8-Isoquinolinol, 1,2,3,4-tetrahydro-2-[2-(phenylmethoxy)propyl]-
CAS Number:
827310-28-1
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
IUPAC Name:
2-(2-phenylmethoxypropyl)-3,4-dihydro-1H-isoquinolin-8-ol
InChI:
InChI=1S/C19H23NO2/c1-15(22-14-16-6-3-2-4-7-16)12-20-11-10-17-8-5-9-19(21)18(17)13-20/h2-9,15,21H,10-14H2,1H3
InChI Key:
IFIQZMQQYONDMM-UHFFFAOYSA-N
SMILES:
CC(CN1CCc2c(C1)c(O)ccc2)OCc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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