200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 211738-63-5
211738-63-5 | Hexanoic acid, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS No: 211738-63-5 Catalog No: AG006YS3 MDL No:
Product Description
Catalog Number:
AG006YS3
Chemical Name:
Hexanoic acid, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS Number:
211738-63-5
Molecular Formula:
C13H23NO2
Molecular Weight:
225.3272
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl hexanoate
InChI:
InChI=1S/C13H23NO2/c1-2-3-4-5-13(15)16-12-10-14-8-6-11(12)7-9-14/h11-12H,2-10H2,1H3
InChI Key:
IMPQJFMNBDVITE-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OC1CN2CCC1CC2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.332g/mol
Monoisotopic Mass:
225.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
© 2019 Angene International Limited. All rights Reserved.