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1423-65-0 | Benzo[b]thiophene-6-carboxylic acid, methyl ester
CAS No: 1423-65-0 Catalog No: AG001I5B MDL No:
Product Description
Catalog Number:
AG001I5B
Chemical Name:
Benzo[b]thiophene-6-carboxylic acid, methyl ester
CAS Number:
1423-65-0
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
IUPAC Name:
methyl 1-benzothiophene-6-carboxylate
InChI:
InChI=1S/C10H8O2S/c1-12-10(11)8-3-2-7-4-5-13-9(7)6-8/h2-6H,1H3
InChI Key:
LUAQLMFNQYOVPQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)scc2
Properties
Complexity:
205
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:
0
Isotope Atom Count:
0
Molecular Weight:
192.232g/mol
Monoisotopic Mass:
192.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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