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16304-48-6 | Benzo[b]thiophene-3-acetic acid, 5-hydroxy-
CAS No: 16304-48-6 Catalog No: AG001TNK MDL No:MFCD01663448
Product Description
Catalog Number:
AG001TNK
Chemical Name:
Benzo[b]thiophene-3-acetic acid, 5-hydroxy-
CAS Number:
16304-48-6
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
MDL Number:
MFCD01663448
IUPAC Name:
2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid
InChI:
InChI=1S/C10H8O3S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5,11H,3H2,(H,12,13)
InChI Key:
CCOMWPYUTGGGJR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc2c1cc(O)cc2
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:
2
Isotope Atom Count:
0
Molecular Weight:
208.231g/mol
Monoisotopic Mass:
208.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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