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19089-60-2 | 1,4-Benzenedicarboxylic acid, 2-sulfo-, sodium salt (1:1)
CAS No: 19089-60-2 Catalog No: AG002EVY MDL No:MFCD00059843
Product Description
Catalog Number:
AG002EVY
Chemical Name:
1,4-Benzenedicarboxylic acid, 2-sulfo-, sodium salt (1:1)
CAS Number:
19089-60-2
Molecular Formula:
C8H5NaO7S
Molecular Weight:
268.1759
MDL Number:
MFCD00059843
IUPAC Name:
sodium;4-carboxy-2-sulfobenzoate
InChI:
InChI=1S/C8H6O7S.Na/c9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1
InChI Key:
JARIJYUQOKFVAJ-UHFFFAOYSA-M
SMILES:
OC(=O)c1ccc(c(c1)S(=O)(=O)O)C(=O)[O-].[Na+]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.965g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.171g/mol
Monoisotopic Mass:
267.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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