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114089-56-4 | Phosphonic acid, [(9-oxo-9H-xanthen-1-yl)methyl]-, diethyl ester (9CI)
CAS No: 114089-56-4 Catalog No: AG000AIN MDL No:
Product Description
Catalog Number:
AG000AIN
Chemical Name:
Phosphonic acid, [(9-oxo-9H-xanthen-1-yl)methyl]-, diethyl ester (9CI)
CAS Number:
114089-56-4
Molecular Formula:
C18H19O5P
Molecular Weight:
346.3142
IUPAC Name:
1-(diethoxyphosphorylmethyl)xanthen-9-one
InChI:
InChI=1S/C18H19O5P/c1-3-21-24(20,22-4-2)12-13-8-7-11-16-17(13)18(19)14-9-5-6-10-15(14)23-16/h5-11H,3-4,12H2,1-2H3
InChI Key:
RLULDXKCIQXUMS-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1cccc2c1c(=O)c1c(o2)cccc1)OCC
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.097g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.319g/mol
Monoisotopic Mass:
346.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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