200,000+ products from a single source!
sales@angenechem.com
439944-80-6 | 3(2H)-Isoxazolone, 4-ethyl-5-(4-piperidinyl)-
CAS No: 439944-80-6 Catalog No: AG0072LH MDL No:MFCD27950825
Product Description
Catalog Number:
AG0072LH
Chemical Name:
3(2H)-Isoxazolone, 4-ethyl-5-(4-piperidinyl)-
CAS Number:
439944-80-6
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD27950825
IUPAC Name:
4-ethyl-5-piperidin-4-yl-1,2-oxazol-3-one
InChI:
InChI=1S/C10H16N2O2/c1-2-8-9(14-12-10(8)13)7-3-5-11-6-4-7/h7,11H,2-6H2,1H3,(H,12,13)
InChI Key:
NKLHMQIBLBZVKZ-UHFFFAOYSA-N
SMILES:
CCc1c(o[nH]c1=O)C1CCNCC1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.