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114071-34-0 | Phosphonic acid, [(2-methoxyphenyl)(methylthio)methyl]-, diethyl ester (9CI)
CAS No: 114071-34-0 Catalog No: AG000AGL MDL No:
Product Description
Catalog Number:
AG000AGL
Chemical Name:
Phosphonic acid, [(2-methoxyphenyl)(methylthio)methyl]-, diethyl ester (9CI)
CAS Number:
114071-34-0
Molecular Formula:
C13H21O4PS
Molecular Weight:
304.3422
IUPAC Name:
1-[diethoxyphosphoryl(methylsulfanyl)methyl]-2-methoxybenzene
InChI:
InChI=1S/C13H21O4PS/c1-5-16-18(14,17-6-2)13(19-4)11-9-7-8-10-12(11)15-3/h7-10,13H,5-6H2,1-4H3
InChI Key:
YTJNGXJBDFGMQY-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccccc1OC)SC)OCC
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.341g/mol
Monoisotopic Mass:
304.09g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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