200,000+ products from a single source!
sales@angenechem.com
1229627-42-2 | 3-(5-Ethyl-isoxazol-3-yl)-3-oxo-propionic acid methyl ester
CAS No: 1229627-42-2 Catalog No: AG01F6T6 MDL No:
Product Description
Catalog Number:
AG01F6T6
Chemical Name:
3-(5-Ethyl-isoxazol-3-yl)-3-oxo-propionic acid methyl ester
CAS Number:
1229627-42-2
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
methyl 3-(5-ethyl-1,2-oxazol-3-yl)-3-oxopropanoate
InChI:
InChI=1S/C9H11NO4/c1-3-6-4-7(10-14-6)8(11)5-9(12)13-2/h4H,3,5H2,1-2H3
InChI Key:
LFYKZQZPUWEXSJ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1noc(c1)CC
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.