Home Carboxys 3,5-dimethyl-1-benzothiophene-2-carboxylic acid

3,5-dimethyl-1-benzothiophene-2-carboxylic acid

CAS No.:
6179-20-0
Catalog Number:
AG01BEUV
Molecular Formula:
C11H10O2S
Molecular Weight:
206.2609
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Product Description
Catalog Number:
AG01BEUV
Chemical Name:
3,5-dimethyl-1-benzothiophene-2-carboxylic acid
CAS Number:
6179-20-0
Molecular Formula:
C11H10O2S
Molecular Weight:
206.2609
MDL Number:
MFCD11207695
IUPAC Name:
3,5-dimethyl-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C11H10O2S/c1-6-3-4-9-8(5-6)7(2)10(14-9)11(12)13/h3-5H,1-2H3,(H,12,13)
InChI Key:
PYPHCGKGCYJPCN-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(C)c(s2)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.259g/mol
Monoisotopic Mass:
206.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties