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1190-29-0 | Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 4-ethyl ester
CAS No: 1190-29-0 Catalog No: AG000P0I MDL No:
Product Description
Catalog Number:
AG000P0I
Chemical Name:
Butanedioic acid, 2-[(dimethoxyphosphinothioyl)thio]-, 4-ethyl ester
CAS Number:
1190-29-0
Molecular Formula:
C8H14O6PS2-
Molecular Weight:
301.2969
IUPAC Name:
2-dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid
InChI:
InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)
InChI Key:
AJSJFDUIZFXAQY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C(=O)[O-])SP(=S)(OC)OC
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.296g/mol
Monoisotopic Mass:
302.005g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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