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125674-32-0

125674-32-0 | Phosphinic acid, (4,5-dihydro-3-phenyl-5-isoxazolyl)methyl-, methyl ester (9CI)

CAS No: 125674-32-0 Catalog No: AG000OC4 MDL No:

Product Description

Catalog Number:
AG000OC4
Chemical Name:
Phosphinic acid, (4,5-dihydro-3-phenyl-5-isoxazolyl)methyl-, methyl ester (9CI)
CAS Number:
125674-32-0
Molecular Formula:
C11H14NO3P
Molecular Weight:
239.2075
IUPAC Name:
methoxy-oxo-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]phosphanium
InChI:
InChI=1S/C11H13NO3P/c1-14-16(13)8-10-7-11(12-15-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/q+1
InChI Key:
AMAZGDVGWFYQTD-UHFFFAOYSA-N
SMILES:
COP(=O)CC1ON=C(C1)c1ccccc1

Properties

Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.063g/mol
Formal Charge:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.203g/mol
Monoisotopic Mass:
238.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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