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10295-14-4

10295-14-4 | (2E)-4-(1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)but-2-enoic acid

CAS No: 10295-14-4 Catalog No: AG01ARKL MDL No:MFCD11518886

Product Description

Catalog Number:
AG01ARKL
Chemical Name:
(2E)-4-(1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)but-2-enoic acid
CAS Number:
10295-14-4
Molecular Formula:
C11H9NO5S
Molecular Weight:
267.2579
MDL Number:
MFCD11518886
IUPAC Name:
(E)-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-enoic acid
InChI:
InChI=1S/C11H9NO5S/c13-10(14)6-3-7-12-11(15)8-4-1-2-5-9(8)18(12,16)17/h1-6H,7H2,(H,13,14)/b6-3+
InChI Key:
ZUTPNDGBTIEHCS-ZZXKWVIFSA-N
SMILES:
OC(=O)C=CCN1C(=O)c2c(S1(=O)=O)cccc2

Properties

Complexity:
490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
267.02g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.255g/mol
Monoisotopic Mass:
267.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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