Benzoic acid, 4-(2-thienyl)-


Chemical Name: Benzoic acid, 4-(2-thienyl)-
CAS Number: 29886-62-2
Product Number: AG00I5JF(AGN-PC-0JVOEB)
Synonyms:
MDL No: MFCD00690742
Molecular Formula: C11H8O2S
Molecular Weight: 204.2450

Identification/Properties


Computed Properties
Molecular Weight:
204.243g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
204.025g/mol
Monoisotopic Mass:
204.025g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
209
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:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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