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100590-43-0 | Benzo[b]thiophene-4-carboxylic acid, methyl ester
CAS No: 100590-43-0 Catalog No: AG0002EB MDL No:MFCD20527696
Product Description
Catalog Number:
AG0002EB
Chemical Name:
Benzo[b]thiophene-4-carboxylic acid, methyl ester
CAS Number:
100590-43-0
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
MDL Number:
MFCD20527696
IUPAC Name:
methyl 1-benzothiophene-4-carboxylate
InChI:
InChI=1S/C10H8O2S/c1-12-10(11)8-3-2-4-9-7(8)5-6-13-9/h2-6H,1H3
InChI Key:
LJEKEROHNAFUGD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1ccs2
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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