Home Carboxys 11-Oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid

11-Oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid

CAS No.:
440627-14-5
Catalog Number:
AG003A1Y
Molecular Formula:
C14H9NO3S
Molecular Weight:
271.2912
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
95%
In Stock USA
United States
$153
- +
100mg
95%
In Stock USA
United States
$304
- +
250mg
95%
In Stock USA
United States
$485
- +
Product Description
Catalog Number:
AG003A1Y
Chemical Name:
11-Oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
CAS Number:
440627-14-5
Molecular Formula:
C14H9NO3S
Molecular Weight:
271.2912
MDL Number:
MFCD03019857
IUPAC Name:
6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid
InChI:
InChI=1S/C14H9NO3S/c16-13-9-3-1-2-4-11(9)19-12-6-5-8(14(17)18)7-10(12)15-13/h1-7H,(H,15,16)(H,17,18)
InChI Key:
OAXKROVRBSKYFV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)NC(=O)c1c(S2)cccc1
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.03g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
271.29g/mol
Monoisotopic Mass:
271.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties