Home Carboxys 4-ethyl-5-propylthiophene-2-carboxylic acid

4-ethyl-5-propylthiophene-2-carboxylic acid

CAS No.:
750598-98-2
Catalog Number:
AG00ICLG
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
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Product Description
Catalog Number:
AG00ICLG
Chemical Name:
4-ethyl-5-propylthiophene-2-carboxylic acid
CAS Number:
750598-98-2
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
MDL Number:
MFCD06335032
IUPAC Name:
4-ethyl-5-propylthiophene-2-carboxylic acid
InChI:
InChI=1S/C10H14O2S/c1-3-5-8-7(4-2)6-9(13-8)10(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChI Key:
QIFYZRSSOKPILW-UHFFFAOYSA-N
SMILES:
CCCc1sc(cc1CC)C(=O)O
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.071g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.28g/mol
Monoisotopic Mass:
198.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties