4-(2-Thienyl)butyric Acid


Chemical Name: 4-(2-Thienyl)butyric Acid
CAS Number: 4653-11-6
Product Number: AG0033SR(AGN-PC-0WA94N)
Synonyms:
MDL No:
Molecular Formula: C8H10O2S
Molecular Weight: 170.2288

Identification/Properties


Properties
BP:
296.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.532(lit.)
Computed Properties
Molecular Weight:
170.226g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
170.04g/mol
Monoisotopic Mass:
170.04g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
136
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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