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101932-09-6 | Cyclopentaneacetic acid, α-hydroxy-α-1-propen-1-yl-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS No: 101932-09-6 Catalog No: AG0005ZT MDL No:
Product Description
Catalog Number:
AG0005ZT
Chemical Name:
Cyclopentaneacetic acid, α-hydroxy-α-1-propen-1-yl-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS Number:
101932-09-6
Molecular Formula:
C17H27NO3
Molecular Weight:
293.4012
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxypent-3-enoate
InChI:
InChI=1S/C17H27NO3/c1-2-9-17(20,14-5-3-4-6-14)16(19)21-15-12-18-10-7-13(15)8-11-18/h2,9,13-15,20H,3-8,10-12H2,1H3
InChI Key:
KFIKGORTYFCONO-UHFFFAOYSA-N
SMILES:
CC=CC(C(=O)OC1CN2CCC1CC2)(C1CCCC1)O
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.199g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.407g/mol
Monoisotopic Mass:
293.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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