Home Sulfos sodium 2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-3-sulfonate

sodium 2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-3-sulfonate

CAS No.:
1803589-49-2
Catalog Number:
AG01BDEG
Molecular Formula:
C10H10NNaO4S
Molecular Weight:
263.2455
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Product Description
Catalog Number:
AG01BDEG
Chemical Name:
sodium 2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-3-sulfonate
CAS Number:
1803589-49-2
Molecular Formula:
C10H10NNaO4S
Molecular Weight:
263.2455
MDL Number:
MFCD28023610
IUPAC Name:
sodium;2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-sulfonate
InChI:
InChI=1S/C10H11NO4S.Na/c12-10-9(16(13,14)15)6-5-7-3-1-2-4-8(7)11-10;/h1-4,9H,5-6H2,(H,11,12)(H,13,14,15);/q;+1/p-1
InChI Key:
DQBDSHIQNSQQIT-UHFFFAOYSA-M
SMILES:
O=C1Nc2ccccc2CCC1S(=O)(=O)[O-].[Na+]
Properties
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.023g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.243g/mol
Monoisotopic Mass:
263.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties