Home Carboxys 2,3-dihydro-1,4-benzoxathiine-2-carboxylic acid

2,3-dihydro-1,4-benzoxathiine-2-carboxylic acid

CAS No.:
92642-95-0
Catalog Number:
AG01A7SU
Molecular Formula:
C9H8O3S
Molecular Weight:
196.2230
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Product Description
Catalog Number:
AG01A7SU
Chemical Name:
2,3-dihydro-1,4-benzoxathiine-2-carboxylic acid
CAS Number:
92642-95-0
Molecular Formula:
C9H8O3S
Molecular Weight:
196.2230
MDL Number:
MFCD15209551
IUPAC Name:
2,3-dihydro-1,4-benzoxathiine-2-carboxylic acid
InChI:
InChI=1S/C9H8O3S/c10-9(11)7-5-13-8-4-2-1-3-6(8)12-7/h1-4,7H,5H2,(H,10,11)
InChI Key:
ARFWVBWEKBZIMC-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSc2c(O1)cccc2
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.019g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.22g/mol
Monoisotopic Mass:
196.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties