Home Sulfos 1H-Indole-3-ethanesulfonic acid, α-hydroxy-, sodium salt (1:1)

1H-Indole-3-ethanesulfonic acid, α-hydroxy-, sodium salt (1:1)

CAS No.:
20095-27-6
Catalog Number:
AG002D3X
Molecular Formula:
C10H10NNaO4S
Molecular Weight:
263.2455
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Product Description
Catalog Number:
AG002D3X
Chemical Name:
1H-Indole-3-ethanesulfonic acid, α-hydroxy-, sodium salt (1:1)
CAS Number:
20095-27-6
Molecular Formula:
C10H10NNaO4S
Molecular Weight:
263.2455
MDL Number:
MFCD00012079
IUPAC Name:
sodium;1-hydroxy-2-(1H-indol-3-yl)ethanesulfonate
InChI:
InChI=1S/C10H11NO4S.Na/c12-10(16(13,14)15)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,10-12H,5H2,(H,13,14,15);/q;+1/p-1
InChI Key:
WYKPCRCESPDDQX-UHFFFAOYSA-M
SMILES:
OC(S(=O)(=O)[O-])Cc1c[nH]c2c1cccc2.[Na+]
Properties
Complexity:
343  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
263.243g/mol
Monoisotopic Mass:
263.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties