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101711-10-8 | 3-Quinuclidyl phenyl(3-methyl-1-pentynyl)glycolate A
CAS No: 101711-10-8 Catalog No: AG009RYO MDL No:
Product Description
Catalog Number:
AG009RYO
Chemical Name:
3-Quinuclidyl phenyl(3-methyl-1-pentynyl)glycolate A
CAS Number:
101711-10-8
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate
InChI:
InChI=1S/C21H27NO3/c1-3-16(2)9-12-21(24,18-7-5-4-6-8-18)20(23)25-19-15-22-13-10-17(19)11-14-22/h4-8,16-17,19,24H,3,10-11,13-15H2,1-2H3
InChI Key:
ILCDYUPSRCDDOW-UHFFFAOYSA-N
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.199g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.451g/mol
Monoisotopic Mass:
341.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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