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| Name |
1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, sodium salt (1:1) |
EINECS | 245-987-0 |
| CAS No. | 24019-46-3 | Density | N/A |
| PSA | 158.64000 | LogP | -0.03030 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H13NaO9S | Boiling Point | N/A |
| Molecular Weight | 356.281 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Isophthalic acid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, monosodium salt(8CI);1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, monosodium salt (9CI);DEIS;ES 740;Sodium 3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonate;Sodiumbis(2-hydroxyethyl) 5-sulfoisophthalate;Ethylene glycol, 5-sulfoisophthalate (2:1), monosodium salt (8CI);Bis(2-hydroxyethyl) 5-sulfoisophthalate sodium salt;Bis(ethylene glycol) 5-sodiosulfoisophthalate; |
1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, sodium salt (1:1) Specification
The 1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, sodium salt (1:1) is an organic compound with the formula C12H13NaO9S. The IUPAC name of this chemical is sodium 3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonate. With the CAS registry number 24019-46-3, it is also named as 5-Sulfoisophthalic acid, bis(2-hydroxyethyl) ester, sodium salt.
Physical properties about 1,3-Benzenedicarboxylicacid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, sodium salt (1:1) are: (1)ACD/LogP: -0.65; (2)ACD/LogD (pH 5.5): -4.15; (3)ACD/LogD (pH 7.4): -4.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 133.81 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=S([O-])(=O)c1cc(cc(C(=O)OCCO)c1)C(=O)OCCO
(2)InChI: InChI=1/C12H14O9S.Na/c13-1-3-20-11(15)8-5-9(12(16)21-4-2-14)7-10(6-8)22(17,18)19;/h5-7,13-14H,1-4H2,(H,17,18,19);/q;+1/p-1
(3)InChIKey: YZLGIRGCZODDCE-REWHXWOFAH
(4)Std. InChI: InChI=1S/C12H14O9S.Na/c13-1-3-20-11(15)8-5-9(12(16)21-4-2-14)7-10(6-8)22(17,18)19;/h5-7,13-14H,1-4H2,(H,17,18,19);/q;+1/p-1
(5)Std. InChIKey: YZLGIRGCZODDCE-UHFFFAOYSA-M
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