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89002-59-5 | Phosphoric acid, 3,7-dimethyl-3-(methylthio)-6-octenyl dimethyl ester
CAS No: 89002-59-5 Catalog No: AG0045LE MDL No:
Product Description
Catalog Number:
AG0045LE
Chemical Name:
Phosphoric acid, 3,7-dimethyl-3-(methylthio)-6-octenyl dimethyl ester
CAS Number:
89002-59-5
Molecular Formula:
C13H27O4PS
Molecular Weight:
310.3898
IUPAC Name:
(3,7-dimethyl-3-methylsulfanyloct-6-enyl) dimethyl phosphate
InChI:
InChI=1S/C13H27O4PS/c1-12(2)8-7-9-13(3,19-6)10-11-17-18(14,15-4)16-5/h8H,7,9-11H2,1-6H3
InChI Key:
PRJZABFOUWRUEG-UHFFFAOYSA-N
SMILES:
CSC(CCC=C(C)C)(CCOP(=O)(OC)OC)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.389g/mol
Monoisotopic Mass:
310.137g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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