Home Carboxys 2H-1-Benzothiopyran-6-carboxylic acid, 3,4-dihydro-, 1,1-dioxide

2H-1-Benzothiopyran-6-carboxylic acid, 3,4-dihydro-, 1,1-dioxide

CAS No.:
720693-13-0
Catalog Number:
AG005Z3S
Molecular Formula:
C10H10O4S
Molecular Weight:
226.2490
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Product Description
Catalog Number:
AG005Z3S
Chemical Name:
2H-1-Benzothiopyran-6-carboxylic acid, 3,4-dihydro-, 1,1-dioxide
CAS Number:
720693-13-0
Molecular Formula:
C10H10O4S
Molecular Weight:
226.2490
MDL Number:
MFCD26595563
IUPAC Name:
1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxylic acid
InChI:
InChI=1S/C10H10O4S/c11-10(12)8-3-4-9-7(6-8)2-1-5-15(9,13)14/h3-4,6H,1-2,5H2,(H,11,12)
InChI Key:
DTTFNLNWXBRFQF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)CCCS2(=O)=O
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.246g/mol
Monoisotopic Mass:
226.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties