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114027-00-8 | Phosphonic acid, [1-(methylthio)-1-propenyl]-, diethyl ester (9CI)
CAS No: 114027-00-8 Catalog No: AG000ACV MDL No:
Product Description
Catalog Number:
AG000ACV
Chemical Name:
Phosphonic acid, [1-(methylthio)-1-propenyl]-, diethyl ester (9CI)
CAS Number:
114027-00-8
Molecular Formula:
C8H17O3PS
Molecular Weight:
224.2575
IUPAC Name:
1-diethoxyphosphoryl-1-methylsulfanylprop-1-ene
InChI:
InChI=1S/C8H17O3PS/c1-5-8(13-4)12(9,10-6-2)11-7-3/h5H,6-7H2,1-4H3
InChI Key:
QIINMGGPRDQABV-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(=CC)SC)OCC
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.255g/mol
Monoisotopic Mass:
224.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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