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1467-86-3 | Benzo[b]thiophene-2-carboxylic acid, 6-methyl-
CAS No: 1467-86-3 Catalog No: AG001E99 MDL No:MFCD07377056
Product Description
Catalog Number:
AG001E99
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 6-methyl-
CAS Number:
1467-86-3
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
MDL Number:
MFCD07377056
IUPAC Name:
6-methyl-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H8O2S/c1-6-2-3-7-5-9(10(11)12)13-8(7)4-6/h2-5H,1H3,(H,11,12)
InChI Key:
KQRBOHOKLNORTA-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(c2)C(=O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.232g/mol
Monoisotopic Mass:
192.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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