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178183-05-6

178183-05-6 | [2,2'-Bithiophene]-3-hexanoic acid

CAS No: 178183-05-6 Catalog No: AG0025TR MDL No:

Product Description

Catalog Number:
AG0025TR
Chemical Name:
[2,2'-Bithiophene]-3-hexanoic acid
CAS Number:
178183-05-6
Molecular Formula:
C14H16O2S2
Molecular Weight:
280.4056
IUPAC Name:
6-(2-thiophen-2-ylthiophen-3-yl)hexanoic acid
InChI:
InChI=1S/C14H16O2S2/c15-13(16)7-3-1-2-5-11-8-10-18-14(11)12-6-4-9-17-12/h4,6,8-10H,1-3,5,7H2,(H,15,16)
InChI Key:
LHBADIIQRSWANF-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCc1ccsc1c1cccs1

Properties

Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.059g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.4g/mol
Monoisotopic Mass:
280.059g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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