2-thiophen-2-ylcyclopropane-1-carboxylic acid


Chemical Name: 2-thiophen-2-ylcyclopropane-1-carboxylic acid
CAS Number: 90111-23-2
Product Number: AG00H31O(AGN-PC-03EFMZ)
Synonyms:
MDL No:
Molecular Formula: C8H8O2S
Molecular Weight: 168.2129

Identification/Properties


Computed Properties
Molecular Weight:
168.21g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
168.024501g/mol
Monoisotopic Mass:
168.024501g/mol
Topological Polar Surface Area:
65.5Ų
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
181
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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:
H317-H319
Precautionary Statements:
P305+P351+P338-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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