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13693-40-8 | Phosphoric acid, diethyl 1-methyl-2-(phenylthio)ethenyl ester
CAS No: 13693-40-8 Catalog No: AG0012KJ MDL No:
Product Description
Catalog Number:
AG0012KJ
Chemical Name:
Phosphoric acid, diethyl 1-methyl-2-(phenylthio)ethenyl ester
CAS Number:
13693-40-8
Molecular Formula:
C13H19O4PS
Molecular Weight:
302.3263
IUPAC Name:
diethyl 1-phenylsulfanylprop-1-en-2-yl phosphate
InChI:
InChI=1S/C13H19O4PS/c1-4-15-18(14,16-5-2)17-12(3)11-19-13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3
InChI Key:
SYZJDKIVRKWDAC-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OC(=CSc1ccccc1)C)OCC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.325g/mol
Monoisotopic Mass:
302.074g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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