200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 211738-62-4
211738-62-4 | Pentanoic acid, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS No: 211738-62-4 Catalog No: AG006YV4 MDL No:
Product Description
Catalog Number:
AG006YV4
Chemical Name:
Pentanoic acid, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS Number:
211738-62-4
Molecular Formula:
C12H21NO2
Molecular Weight:
211.3006
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl pentanoate
InChI:
InChI=1S/C12H21NO2/c1-2-3-4-12(14)15-11-9-13-7-5-10(11)6-8-13/h10-11H,2-9H2,1H3
InChI Key:
BHQVGSQHGMGQMZ-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC1CN2CCC1CC2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.305g/mol
Monoisotopic Mass:
211.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
© 2019 Angene International Limited. All rights Reserved.