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100651-98-7 | Phosphonic acid, 2,5-thiophenediylbis-, tetraethyl ester (9CI)
CAS No: 100651-98-7 Catalog No: AG0002KP MDL No:MFCD00800571
Product Description
Catalog Number:
AG0002KP
Chemical Name:
Phosphonic acid, 2,5-thiophenediylbis-, tetraethyl ester (9CI)
CAS Number:
100651-98-7
Molecular Formula:
C12H22O6P2S
Molecular Weight:
356.3120
MDL Number:
MFCD00800571
IUPAC Name:
2,5-bis(diethoxyphosphoryl)thiophene
InChI:
InChI=1S/C12H22O6P2S/c1-5-15-19(13,16-6-2)11-9-10-12(21-11)20(14,17-7-3)18-8-4/h9-10H,5-8H2,1-4H3
InChI Key:
UXDZSFJMBBHZEC-UHFFFAOYSA-N
SMILES:
CCOP(=O)(c1ccc(s1)P(=O)(OCC)OCC)OCC
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.061g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.31g/mol
Monoisotopic Mass:
356.061g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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