1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate

CAS: 93101-75-8

Molecular Formula	`C19H23NO3`
Molecular Weight	313.4 g/mol
LogP	2.8
Topological Polar Surface Area	49.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	313.1678
Heavy Atoms	23
Complexity	499.0

Chemical Identifiers

CAS Number	93101-75-8
SMILES	`CC(=C)C(C1=CC=CC=C1)(C(=O)OCC2=CN3CCC2CC3)O`
InChIKey	`WPXKBKPTHANSNP-UHFFFAOYSA-N`

📖 Product Overview

1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate (CAS: 93101-75-8) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.4 g/mol. Its IUPAC systematic name is 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate. LogP 2.8 Topological Polar Surface Area 49.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 313.1678 Heavy Atoms 23 Complexity 499.0 InChI Key: WPXKBKPTHANSNP-UHFFFAOYSA-N. SMILES: CC(=C)C(C1=CC=CC=C1)(C(=O)OCC2=CN3CCC2CC3)O.

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