200,000+ products from a single source!
sales@angenechem.com
20545-21-5 | Phosphonic acid, (4,5-dihydro-3-phenyl-5-isoxazolyl)-, dimethyl ester (9CI)
CAS No: 20545-21-5 Catalog No: AG002A3E MDL No:
Product Description
Catalog Number:
AG002A3E
Chemical Name:
Phosphonic acid, (4,5-dihydro-3-phenyl-5-isoxazolyl)-, dimethyl ester (9CI)
CAS Number:
20545-21-5
Molecular Formula:
C11H14NO4P
Molecular Weight:
255.2069
IUPAC Name:
5-dimethoxyphosphoryl-3-phenyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C11H14NO4P/c1-14-17(13,15-2)11-8-10(12-16-11)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChI Key:
ZCSMFXFBNYPRNZ-UHFFFAOYSA-N
SMILES:
COP(=O)(C1ON=C(C1)c1ccccc1)OC
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.21g/mol
Monoisotopic Mass:
255.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.