Home Other Building Blocks 2-(4,4-dioxo-2,3-dihydro-1,4lambda6-benzoxathiin-2-yl)acetic acid

2-(4,4-dioxo-2,3-dihydro-1,4lambda6-benzoxathiin-2-yl)acetic acid

CAS No.:
1909325-93-4
Catalog Number:
AG01C2HC
Molecular Formula:
C10H10O5S
Molecular Weight:
242.2484
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Product Description
Catalog Number:
AG01C2HC
Chemical Name:
2-(4,4-dioxo-2,3-dihydro-1,4lambda6-benzoxathiin-2-yl)acetic acid
CAS Number:
1909325-93-4
Molecular Formula:
C10H10O5S
Molecular Weight:
242.2484
MDL Number:
MFCD29054994
IUPAC Name:
2-(4,4-dioxo-2,3-dihydro-1,4λ6-benzoxathiin-2-yl)acetic acid
InChI:
InChI=1S/C10H10O5S/c11-10(12)5-7-6-16(13,14)9-4-2-1-3-8(9)15-7/h1-4,7H,5-6H2,(H,11,12)
InChI Key:
QBVWYODOMKPJOK-UHFFFAOYSA-N
SMILES:
OC(=O)CC1Oc2ccccc2S(=O)(=O)C1
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.025g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.245g/mol
Monoisotopic Mass:
242.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties