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89721-33-5 | Isoquinoline, 1-phenyl-3-(3-pyrrolidinyloxy)-
CAS No: 89721-33-5 Catalog No: AG0042AW MDL No:
Product Description
Catalog Number:
AG0042AW
Chemical Name:
Isoquinoline, 1-phenyl-3-(3-pyrrolidinyloxy)-
CAS Number:
89721-33-5
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
IUPAC Name:
1-phenyl-3-pyrrolidin-3-yloxyisoquinoline
InChI:
InChI=1S/C19H18N2O/c1-2-6-14(7-3-1)19-17-9-5-4-8-15(17)12-18(21-19)22-16-10-11-20-13-16/h1-9,12,16,20H,10-11,13H2
InChI Key:
QWJCJYPYNTWLBC-UHFFFAOYSA-N
SMILES:
C1NCC(C1)Oc1cc2ccccc2c(n1)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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