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Home Other Building Blocks N-Formylsaccharin

N-Formylsaccharin

CAS No.:
50978-45-5
Catalog Number:
AG003AM8
Molecular Formula:
C8H5NO4S
Molecular Weight:
211.1946
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$188
- +
10g
95%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG003AM8
Chemical Name:
N-Formylsaccharin
CAS Number:
50978-45-5
Molecular Formula:
C8H5NO4S
Molecular Weight:
211.1946
MDL Number:
MFCD23380208
IUPAC Name:
1,1,3-trioxo-1,2-benzothiazole-2-carbaldehyde
InChI:
InChI=1S/C8H5NO4S/c10-5-9-8(11)6-3-1-2-4-7(6)14(9,12)13/h1-5H
InChI Key:
LMPIFZSJKLLOLM-UHFFFAOYSA-N
SMILES:
O=CN1C(=O)c2c(S1(=O)=O)cccc2
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.994g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.191g/mol
Monoisotopic Mass:
210.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties