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13132-10-0 | 8H-Indeno[2,1-b]thiophene-2-carboxylic acid, 8-oxo-, methyl ester
CAS No: 13132-10-0 Catalog No: AG000VX9 MDL No:
Product Description
Catalog Number:
AG000VX9
Chemical Name:
8H-Indeno[2,1-b]thiophene-2-carboxylic acid, 8-oxo-, methyl ester
CAS Number:
13132-10-0
Molecular Formula:
C13H8O3S
Molecular Weight:
244.2658
IUPAC Name:
methyl 4-oxoindeno[2,1-b]thiophene-2-carboxylate
InChI:
InChI=1S/C13H8O3S/c1-16-13(15)10-6-9-7-4-2-3-5-8(7)11(14)12(9)17-10/h2-6H,1H3
InChI Key:
CJTMSFGZFMQLIO-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1)c1c(C2=O)cccc1
UNII:
5Q693R9MON
NSC Number:
149720
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.019g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.264g/mol
Monoisotopic Mass:
244.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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