Home Carboxys 3-(propan-2-yl)thiophene-2-carboxylic acid

3-(propan-2-yl)thiophene-2-carboxylic acid

CAS No.:
29488-31-1
Catalog Number:
AG019W8L
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
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Product Description
Catalog Number:
AG019W8L
Chemical Name:
3-(propan-2-yl)thiophene-2-carboxylic acid
CAS Number:
29488-31-1
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD12912914
IUPAC Name:
3-propan-2-ylthiophene-2-carboxylic acid
InChI:
InChI=1S/C8H10O2S/c1-5(2)6-3-4-11-7(6)8(9)10/h3-5H,1-2H3,(H,9,10)
InChI Key:
CGMGPCMCOGRNSC-UHFFFAOYSA-N
SMILES:
CC(c1ccsc1C(=O)O)C
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties