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101711-16-4

101711-16-4 | 3-Quinuclidyl phenyl(trans-1-propenyl)glycolate

CAS No: 101711-16-4 Catalog No: AG009RYP MDL No:

Product Description

Catalog Number:
AG009RYP
Chemical Name:
3-Quinuclidyl phenyl(trans-1-propenyl)glycolate
CAS Number:
101711-16-4
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-2-phenylpent-3-enoate
InChI:
InChI=1S/C18H23NO3/c1-2-10-18(21,15-6-4-3-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h2-7,10,14,16,21H,8-9,11-13H2,1H3/b10-2+
InChI Key:
KXULHOPQKUGNIO-WTDSWWLTSA-N

Properties

Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
301.168g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.386g/mol
Monoisotopic Mass:
301.168g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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