Home Carboxys 3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid

3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid

CAS No.:
1094424-69-7
Catalog Number:
AG01A9Q3
Molecular Formula:
C11H10O3S
Molecular Weight:
222.2603
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Product Description
Catalog Number:
AG01A9Q3
Chemical Name:
3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid
CAS Number:
1094424-69-7
Molecular Formula:
C11H10O3S
Molecular Weight:
222.2603
MDL Number:
MFCD11205090
IUPAC Name:
3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C11H10O3S/c1-14-6-8-7-4-2-3-5-9(7)15-10(8)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
SXDVBKGOIYFFMU-UHFFFAOYSA-N
SMILES:
COCc1c(sc2c1cccc2)C(=O)O
Properties
Complexity:
244  
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:
3  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties