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88791-07-5 | 7-Methoxybenzo[b]thiophene-2-carboxylic acid
CAS No: 88791-07-5 Catalog No: AG004AWX MDL No:MFCD01830203
Product Description
Catalog Number:
AG004AWX
Chemical Name:
7-Methoxybenzo[b]thiophene-2-carboxylic acid
CAS Number:
88791-07-5
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
MDL Number:
MFCD01830203
IUPAC Name:
7-methoxy-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H8O3S/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H,11,12)
InChI Key:
QJWNYHKOXLTWOA-UHFFFAOYSA-N
SMILES:
COc1cccc2c1sc(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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