Home Carboxys 1,3-Benzothiazole-2-carboxylic acid hydrate

1,3-Benzothiazole-2-carboxylic acid hydrate

CAS No.:
1269062-26-1
Catalog Number:
AG00J3GM
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00J3GM
Chemical Name:
1,3-Benzothiazole-2-carboxylic acid hydrate
CAS Number:
1269062-26-1
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
MDL Number:
MFCD02682025
IUPAC Name:
1,3-benzothiazole-2-carboxylic acid;hydrate
InChI:
InChI=1S/C8H5NO2S.H2O/c10-8(11)7-9-5-3-1-2-4-6(5)12-7;/h1-4H,(H,10,11);1H2
InChI Key:
PZVDFIOWLQMNSN-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2c(s1)cccc2.O
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.208g/mol
Monoisotopic Mass:
197.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties