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1241392-47-1

1241392-47-1 |

CAS No: 1241392-47-1 Catalog No: AG01FMQ0 MDL No:

Product Description

Catalog Number:
AG01FMQ0
CAS Number:
1241392-47-1
IUPAC Name:
1,1-dioxo-1-benzothiophene-6-carboxylic acid
InChI:
InChI=1S/C9H6O4S/c10-9(11)7-2-1-6-3-4-14(12,13)8(6)5-7/h1-5H,(H,10,11)
InChI Key:
IIKRQISNUTXLRU-UHFFFAOYSA-N

Properties

Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.999g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.203g/mol
Monoisotopic Mass:
209.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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