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130112-51-5 | Propanedioic acid, 2-(1,3-dithietan-2-ylidene)-, 1-(1-methylethyl) ester
CAS No: 130112-51-5 Catalog No: AG000U09 MDL No:
Product Description
Catalog Number:
AG000U09
Chemical Name:
Propanedioic acid, 2-(1,3-dithietan-2-ylidene)-, 1-(1-methylethyl) ester
CAS Number:
130112-51-5
Molecular Formula:
C8H9O4S2-
Molecular Weight:
233.2847
IUPAC Name:
2-(1,3-dithietan-2-ylidene)-3-oxo-3-propan-2-yloxypropanoate
InChI:
InChI=1S/C8H10O4S2/c1-4(2)12-7(11)5(6(9)10)8-13-3-14-8/h4H,3H2,1-2H3,(H,9,10)/p-1
InChI Key:
DXVLACTYUUKEGY-UHFFFAOYSA-M
SMILES:
CC(OC(=O)C(=C1SCS1)C(=O)[O-])C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.994g/mol
Formal Charge:
-1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.276g/mol
Monoisotopic Mass:
232.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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