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7396-44-3 | Benzyl 2-(diethoxyphosphoryl)acetate
CAS No: 7396-44-3 Catalog No: AG005IUV MDL No:MFCD09263511
Product Description
Catalog Number:
AG005IUV
Chemical Name:
Benzyl 2-(diethoxyphosphoryl)acetate
CAS Number:
7396-44-3
Molecular Formula:
C13H19O5P
Molecular Weight:
286.2607
MDL Number:
MFCD09263511
IUPAC Name:
benzyl 2-diethoxyphosphorylacetate
InChI:
InChI=1S/C13H19O5P/c1-3-17-19(15,18-4-2)11-13(14)16-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChI Key:
OTRQFHJPBPUOES-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(=O)OCc1ccccc1)OCC
NSC Number:
133869
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.264g/mol
Monoisotopic Mass:
286.097g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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