| CAS Number | 19089-60-2 |
| Catalog Number | AG002EVY(AGN-PC-0QK1WJ) |
| Chemical Name | 1,4-Benzenedicarboxylic acid, 2-sulfo-, sodium salt (1:1) |
| 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 |
| MDL Number | MFCD00059843 |
| Molecular Formula | C8H6NaO7S |
| Molecular Weight | 269.1838 |
| SMILES | [Na].S(=O)(=O)(O)c1c(C(=O)O)ccc(c1)C(=O)O |
| Synonyms | Monosodium 2-Sulfoterephthalate,
19089-60-2,
sodium 4-carboxy-2-sulfobenzoate,
1,4-Benzenedicarboxylic acid, 2-sulfo-, monosodium salt,
ACMC-209eud,
SCHEMBL17631898,
CTK8B1093,
KS-00000VXD,
DTXSID40659950,
ANW-23507,
2-SULFOTEREPHTHALICACIDMONOSODIUMSALT,
TC-112252,
FT-0613417,
1,4-Benzenedicarboxylic acid, 2-sulfo-, sodium salt (1:1),
2-Sulfoterephthalic Acid Monosodium Salt,
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| 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 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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UN Code
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Certificate of Analysis
Lot Number