Home Carboxys 5-methoxy-3-methyl-1-benzothiophene-2-carboxylic acid

5-methoxy-3-methyl-1-benzothiophene-2-carboxylic acid

CAS No.:
21243-02-7
Catalog Number:
AG01AJEC
Molecular Formula:
C11H10O3S
Molecular Weight:
222.2603
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AJEC
Chemical Name:
5-methoxy-3-methyl-1-benzothiophene-2-carboxylic acid
CAS Number:
21243-02-7
Molecular Formula:
C11H10O3S
Molecular Weight:
222.2603
MDL Number:
MFCD01859676
IUPAC Name:
5-methoxy-3-methyl-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C11H10O3S/c1-6-8-5-7(14-2)3-4-9(8)15-10(6)11(12)13/h3-5H,1-2H3,(H,12,13)
InChI Key:
HQORKYGLRMIEKI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)c(s2)C(=O)O
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.258g/mol
Monoisotopic Mass:
222.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties