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17858-15-0

17858-15-0 | Phosphonic acid, P-(1,3-dihydro-3-oxo-1-isobenzofuranyl)-, diethyl ester

CAS No: 17858-15-0 Catalog No: AG002669 MDL No:

Product Description

Catalog Number:
AG002669
Chemical Name:
Phosphonic acid, P-(1,3-dihydro-3-oxo-1-isobenzofuranyl)-, diethyl ester
CAS Number:
17858-15-0
Molecular Formula:
C12H15O5P
Molecular Weight:
270.2183
IUPAC Name:
3-diethoxyphosphoryl-3H-2-benzofuran-1-one
InChI:
InChI=1S/C12H15O5P/c1-3-15-18(14,16-4-2)12-10-8-6-5-7-9(10)11(13)17-12/h5-8,12H,3-4H2,1-2H3
InChI Key:
WIXKRKWSXDVKIX-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C1OC(=O)c2c1cccc2)OCC

Properties

Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.066g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.221g/mol
Monoisotopic Mass:
270.066g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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