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25017-57-6 | Butanedioic acid, 2-[[bis(1-methylethoxy)phosphinyl]thio]-, 1,4-diethyl ester
CAS No: 25017-57-6 Catalog No: AG002Q73 MDL No:
Product Description
Catalog Number:
AG002Q73
Chemical Name:
Butanedioic acid, 2-[[bis(1-methylethoxy)phosphinyl]thio]-, 1,4-diethyl ester
CAS Number:
25017-57-6
Molecular Formula:
C14H27O7PS
Molecular Weight:
370.3987
IUPAC Name:
diethyl 2-di(propan-2-yloxy)phosphorylsulfanylbutanedioate
InChI:
InChI=1S/C14H27O7PS/c1-7-18-13(15)9-12(14(16)19-8-2)23-22(17,20-10(3)4)21-11(5)6/h10-12H,7-9H2,1-6H3
InChI Key:
QHSPDKYNDVADIS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(SP(=O)(OC(C)C)OC(C)C)CC(=O)OCC
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.397g/mol
Monoisotopic Mass:
370.122g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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