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1235378-84-3 | Benzo[b]thiophene-6-carboxylic acid, 2-acetyl-, methyl ester
CAS No: 1235378-84-3 Catalog No: AG000KQF MDL No:
Product Description
Catalog Number:
AG000KQF
Chemical Name:
Benzo[b]thiophene-6-carboxylic acid, 2-acetyl-, methyl ester
CAS Number:
1235378-84-3
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
IUPAC Name:
methyl 2-acetyl-1-benzothiophene-6-carboxylate
InChI:
InChI=1S/C12H10O3S/c1-7(13)10-5-8-3-4-9(12(14)15-2)6-11(8)16-10/h3-6H,1-2H3
InChI Key:
UPQCOKCTOOXIQQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)sc(c2)C(=O)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.269g/mol
Monoisotopic Mass:
234.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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