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95178-93-1 | 1,2-Benzisothiazol-3(2H)-one, 2-(1-oxo-2-propenyl)-
CAS No: 95178-93-1 Catalog No: AG0066CR MDL No:
Product Description
Catalog Number:
AG0066CR
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-(1-oxo-2-propenyl)-
CAS Number:
95178-93-1
Molecular Formula:
C10H7NO2S
Molecular Weight:
205.2331
IUPAC Name:
2-prop-2-enoyl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C10H7NO2S/c1-2-9(12)11-10(13)7-5-3-4-6-8(7)14-11/h2-6H,1H2
InChI Key:
XFXOBMQMRPHYNT-UHFFFAOYSA-N
SMILES:
C=CC(=O)n1sc2c(c1=O)cccc2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.231g/mol
Monoisotopic Mass:
205.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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