Propanedioic acid, 3-thienyl-


Chemical Name: Propanedioic acid, 3-thienyl-
CAS Number: 21080-92-2
Product Number: AG002KZL(AGN-PC-0JLXNG)
Synonyms:
MDL No: MFCD00005469
Molecular Formula: C7H6O4S
Molecular Weight: 186.1851

Identification/Properties


Properties
MP:
139 °C (dec.)(lit.)
BP:
396.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
186.181g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
185.999g/mol
Monoisotopic Mass:
185.999g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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