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102539-79-7 | 6-Methoxybenzo[b]thiophene-2-carboxylic acid
CAS No: 102539-79-7 Catalog No: AG0007O1 MDL No:MFCD07371542
Product Description
Catalog Number:
AG0007O1
Chemical Name:
6-Methoxybenzo[b]thiophene-2-carboxylic acid
CAS Number:
102539-79-7
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
MDL Number:
MFCD07371542
IUPAC Name:
6-methoxy-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H8O3S/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5H,1H3,(H,11,12)
InChI Key:
XTXMOIBADXDEKF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(c2)C(=O)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.231g/mol
Monoisotopic Mass:
208.019g/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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