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89721-35-7 | Isoquinoline, 1-phenyl-3-(2-pyrrolidinylmethoxy)-
CAS No: 89721-35-7 Catalog No: AG008817 MDL No:
Product Description
Catalog Number:
AG008817
Chemical Name:
Isoquinoline, 1-phenyl-3-(2-pyrrolidinylmethoxy)-
CAS Number:
89721-35-7
Molecular Formula:
C20H20N2O
Molecular Weight:
304.3856
IUPAC Name:
1-phenyl-3-(pyrrolidin-2-ylmethoxy)isoquinoline
InChI:
InChI=1S/C20H20N2O/c1-2-7-15(8-3-1)20-18-11-5-4-9-16(18)13-19(22-20)23-14-17-10-6-12-21-17/h1-5,7-9,11,13,17,21H,6,10,12,14H2
InChI Key:
XUTGWBXIMSXBOM-UHFFFAOYSA-N
SMILES:
C1CNC(C1)COc1cc2ccccc2c(n1)c1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.393g/mol
Monoisotopic Mass:
304.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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