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854515-01-8 | Benzo[b]thiophene-3-carboxylic acid, 6-methoxy-2-methyl-
CAS No: 854515-01-8 Catalog No: AG01FN67 MDL No:
Product Description
Catalog Number:
AG01FN67
Chemical Name:
Benzo[b]thiophene-3-carboxylic acid, 6-methoxy-2-methyl-
CAS Number:
854515-01-8
IUPAC Name:
6-methoxy-2-methyl-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C11H10O3S/c1-6-10(11(12)13)8-4-3-7(14-2)5-9(8)15-6/h3-5H,1-2H3,(H,12,13)
InChI Key:
QOWXSQNFVNTGQJ-UHFFFAOYSA-N
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:
2.8
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