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Home Carboxys Thieno[3,4-b]-1,4-dioxin-5-carboxylic acid, 2,3-dihydro-

Thieno[3,4-b]-1,4-dioxin-5-carboxylic acid, 2,3-dihydro-

CAS No.:
260063-21-6
Catalog Number:
AG002RDL
Molecular Formula:
C7H6O4S
Molecular Weight:
186.1851
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Product Description
Catalog Number:
AG002RDL
Chemical Name:
Thieno[3,4-b]-1,4-dioxin-5-carboxylic acid, 2,3-dihydro-
CAS Number:
260063-21-6
Molecular Formula:
C7H6O4S
Molecular Weight:
186.1851
MDL Number:
MFCD07801102
IUPAC Name:
2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
InChI:
InChI=1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)
InChI Key:
DCCRIIFBJZOPAV-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc2c1OCCO2
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.181g/mol
Monoisotopic Mass:
185.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties