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Home Carboxys 6-(1,1-Dimethylpropyl)-1-benzothiophene-3-carboxylic acid

6-(1,1-Dimethylpropyl)-1-benzothiophene-3-carboxylic acid

CAS No.:
667436-12-6
Catalog Number:
AG00FD3D
Molecular Formula:
C14H16O2S
Molecular Weight:
248.3406
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00FD3D
Chemical Name:
6-(1,1-Dimethylpropyl)-1-benzothiophene-3-carboxylic acid
CAS Number:
667436-12-6
Molecular Formula:
C14H16O2S
Molecular Weight:
248.3406
MDL Number:
MFCD03419874
IUPAC Name:
6-(2-methylbutan-2-yl)-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C14H16O2S/c1-4-14(2,3)9-5-6-10-11(13(15)16)8-17-12(10)7-9/h5-8H,4H2,1-3H3,(H,15,16)
InChI Key:
XSZVMLSOBKUTBD-UHFFFAOYSA-N
SMILES:
CCC(c1ccc2c(c1)scc2C(=O)O)(C)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.34g/mol
Monoisotopic Mass:
248.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties