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53324-51-9 | 3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid
CAS No: 53324-51-9 Catalog No: AG01EAD7 MDL No:
Product Description
Catalog Number:
AG01EAD7
Chemical Name:
3-(1,1-Dioxido-1,2-thiazinan-2-yl)benzoic acid
CAS Number:
53324-51-9
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
IUPAC Name:
3-(1,1-dioxothiazinan-2-yl)benzoic acid
InChI:
InChI=1S/C11H13NO4S/c13-11(14)9-4-3-5-10(8-9)12-6-1-2-7-17(12,15)16/h3-5,8H,1-2,6-7H2,(H,13,14)
InChI Key:
BDUXZYWBMNHIMV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)N1CCCCS1(=O)=O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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