200,000+ products from a single source!
sales@angenechem.com
138763-99-2 | Butanoic acid, 3-oxo-, 1-benzoyl-3-piperidinyl ester
CAS No: 138763-99-2 Catalog No: AG0019IJ MDL No:
Product Description
Catalog Number:
AG0019IJ
Chemical Name:
Butanoic acid, 3-oxo-, 1-benzoyl-3-piperidinyl ester
CAS Number:
138763-99-2
Molecular Formula:
C16H19NO4
Molecular Weight:
289.3264
IUPAC Name:
(1-benzoylpiperidin-3-yl) 3-oxobutanoate
InChI:
InChI=1S/C16H19NO4/c1-12(18)10-15(19)21-14-8-5-9-17(11-14)16(20)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3
InChI Key:
UIRIXLXWXYFALI-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)OC1CCCN(C1)C(=O)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.331g/mol
Monoisotopic Mass:
289.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.