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129109-88-2 | 3-{[2-(Hydroxymethyl)-2-phenylbutanoyl]oxy}-8
CAS No: 129109-88-2 Catalog No: AG01FOH3 MDL No:
Product Description
Catalog Number:
AG01FOH3
Chemical Name:
3-{[2-(Hydroxymethyl)-2-phenylbutanoyl]oxy}-8
CAS Number:
129109-88-2
IUPAC Name:
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(hydroxymethyl)-2-phenylbutanoate;iodide
InChI:
InChI=1S/C20H30NO3.HI/c1-4-20(14-22,15-8-6-5-7-9-15)19(23)24-18-12-16-10-11-17(13-18)21(16,2)3;/h5-9,16-18,22H,4,10-14H2,1-3H3;1H/q+1;/p-1
InChI Key:
PIQNXFBDPDECGD-UHFFFAOYSA-M
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
459.368g/mol
Monoisotopic Mass:
459.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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