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13132-09-7 | 8H-Indeno[2,1-b]thiophene-2-carboxylic acid, 8-oxo-
CAS No: 13132-09-7 Catalog No: AG000VXA MDL No:MFCD24387119
Product Description
Catalog Number:
AG000VXA
Chemical Name:
8H-Indeno[2,1-b]thiophene-2-carboxylic acid, 8-oxo-
CAS Number:
13132-09-7
Molecular Formula:
C12H6O3S
Molecular Weight:
230.2392
MDL Number:
MFCD24387119
IUPAC Name:
4-oxoindeno[2,1-b]thiophene-2-carboxylic acid
InChI:
InChI=1S/C12H6O3S/c13-10-7-4-2-1-3-6(7)8-5-9(12(14)15)16-11(8)10/h1-5H,(H,14,15)
InChI Key:
BJDHZRXTDAKQCG-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1)c1c(C2=O)cccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.004g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.237g/mol
Monoisotopic Mass:
230.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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