Home Carboxys 2-cyclopropyl-5-methylthiophene-3-carboxylic acid

2-cyclopropyl-5-methylthiophene-3-carboxylic acid

CAS No.:
2126161-34-8
Catalog Number:
AG01EKQU
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
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Product Description
Catalog Number:
AG01EKQU
Chemical Name:
2-cyclopropyl-5-methylthiophene-3-carboxylic acid
CAS Number:
2126161-34-8
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD31381185
IUPAC Name:
2-cyclopropyl-5-methylthiophene-3-carboxylic acid
InChI:
InChI=1S/C9H10O2S/c1-5-4-7(9(10)11)8(12-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,10,11)
InChI Key:
KPTRNBJIJKESOJ-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1)C(=O)O)C1CC1
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties