Home Carboxys 5-isobutylthiophene-2-carboxylic acid

5-isobutylthiophene-2-carboxylic acid

CAS No.:
5681-91-4
Catalog Number:
AG00JF6B
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
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Product Description
Catalog Number:
AG00JF6B
Chemical Name:
5-isobutylthiophene-2-carboxylic acid
CAS Number:
5681-91-4
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
MDL Number:
MFCD01211014
IUPAC Name:
5-(2-methylpropyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C9H12O2S/c1-6(2)5-7-3-4-8(12-7)9(10)11/h3-4,6H,5H2,1-2H3,(H,10,11)
InChI Key:
QKSXJQJLJNLEPE-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(s1)C(=O)O)C
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.253g/mol
Monoisotopic Mass:
184.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties