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Structure

1-Azabicyclo[2.2.2]octan-8-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate

CAS
101711-10-8
Catalog Number
ACM101711108
Category
Other Products
Molecular Weight
341.444 g/mol
Molecular Formula
C21H27NO3

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Specification

Synonyms
CID58820, LS-89153, 3-Quinuclidyl phenyl(3-methyl-1-pentynyl)glycolate A, 3-Quinuclidyl phenyl(3-methyl-1-pentynyl)glycolate B, Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 3-quinuclidinyl ester, MANDELIC ACID, alpha-(3-METHYL-1-PENTYNYL)-, 3-QUINUCLIDINYL ESTER, 101711-10-8
IUPAC Name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate
Canonical SMILES
CCC(C)C#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O
InChI Key
ILCDYUPSRCDDOW-UHFFFAOYSA-N
Boiling Point
488.4ºC at 760mmHg
Flash Point
249.2ºC
Density
1.17g/cm³
Exact Mass
341.19900
H-Bond Acceptor
4
H-Bond Donor
1
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