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14995-38-1 | Benzenesulfonic acid, 4-ethyl-, sodium salt (1:1)
CAS No: 14995-38-1 Catalog No: AG001M69 MDL No:MFCD00070568
Product Description
Catalog Number:
AG001M69
Chemical Name:
Benzenesulfonic acid, 4-ethyl-, sodium salt (1:1)
CAS Number:
14995-38-1
Molecular Formula:
C8H9NaO3S
Molecular Weight:
208.2100
MDL Number:
MFCD00070568
IUPAC Name:
sodium;4-ethylbenzenesulfonate
InChI:
InChI=1S/C8H10O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h3-6H,2H2,1H3,(H,9,10,11);/q;+1/p-1
InChI Key:
LLELGQVCQVOGMA-UHFFFAOYSA-M
SMILES:
CCc1ccc(cc1)S(=O)(=O)[O-].[Na+]
EC Number:
239-080-9
UNII:
9CSE7E0H3W
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.207g/mol
Monoisotopic Mass:
208.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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