Home Carboxys 5-cyclopropylthiophene-2-carboxylic acid

5-cyclopropylthiophene-2-carboxylic acid

CAS No.:
29481-28-5
Catalog Number:
AG01A013
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
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Product Description
Catalog Number:
AG01A013
Chemical Name:
5-cyclopropylthiophene-2-carboxylic acid
CAS Number:
29481-28-5
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
MDL Number:
MFCD06802416
IUPAC Name:
5-cyclopropylthiophene-2-carboxylic acid
InChI:
InChI=1S/C8H8O2S/c9-8(10)7-4-3-6(11-7)5-1-2-5/h3-5H,1-2H2,(H,9,10)
InChI Key:
VRNOULWNJXYFAU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)C1CC1
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.21g/mol
Monoisotopic Mass:
168.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties