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88137-52-4 | 1,2-Benzisoxazole, 3-[2-[2-[2-(1-piperidinyl)ethoxy]phenyl]ethyl]-
CAS No: 88137-52-4 Catalog No: AG004HA0 MDL No:
Product Description
Catalog Number:
AG004HA0
Chemical Name:
1,2-Benzisoxazole, 3-[2-[2-[2-(1-piperidinyl)ethoxy]phenyl]ethyl]-
CAS Number:
88137-52-4
Molecular Formula:
C22H26N2O2
Molecular Weight:
350.4540
IUPAC Name:
3-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethyl]-1,2-benzoxazole
InChI:
InChI=1S/C22H26N2O2/c1-6-14-24(15-7-1)16-17-25-21-10-4-2-8-18(21)12-13-20-19-9-3-5-11-22(19)26-23-20/h2-5,8-11H,1,6-7,12-17H2
InChI Key:
MZQLDSYUWMIKFE-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)CCOc1ccccc1CCc1noc2c1cccc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.199g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.462g/mol
Monoisotopic Mass:
350.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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