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1006432-89-8

1006432-89-8 | sodium 3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-en-1-olate

CAS No: 1006432-89-8 Catalog No: AG019M6V MDL No:MFCD08691141

Product Description

Catalog Number:
AG019M6V
Chemical Name:
sodium 3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-en-1-olate
CAS Number:
1006432-89-8
Molecular Formula:
C10H6NNaO2S
Molecular Weight:
227.2149
MDL Number:
MFCD08691141
IUPAC Name:
sodium;3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-en-1-olate
InChI:
InChI=1S/C10H7NO2S.Na/c12-6-5-8(13)10-11-7-3-1-2-4-9(7)14-10;/h1-6,12H;/q;+1/p-1
InChI Key:
LXENDPSWEFCYDT-UHFFFAOYSA-M
SMILES:
[O-]C=CC(=O)c1nc2c(s1)cccc2.[Na+]

Properties

Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.002g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.213g/mol
Monoisotopic Mass:
227.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  

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