Cas no 78009-34-4 (5-Methoxycarbonyl-3-(sodiooxysulfonyl)benzoic acid sodium salt)
78009-34-4 structure
Product Name:5-Methoxycarbonyl-3-(sodiooxysulfonyl)benzoic acid sodium salt
CAS No:78009-34-4
MF:C9H6Na2O7S
MW:304.184283733368
CID:530516
Update Time:2023-08-02
5-Methoxycarbonyl-3-(sodiooxysulfonyl)benzoic acid sodium salt Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1-methyl ester, disodium salt
- 5-Methoxycarbonyl-3-(sodiooxysulfonyl)benzoic acid sodium salt
-
- Inchi： 1S/C9H8O7S.2Na/c1-16-9(12)6-2-5(8(10)11)3-7(4-6)17(13,14)15;;/h2-4H,1H3,(H,10,11)(H,13,14,15);;/q;2*+1/p-2
- InChI Key： SOCBJSCFOKYMEK-UHFFFAOYSA-L
- SMILES： S(C1C=C(C(=O)[O-])C=C(C(=O)OC)C=1)(=O)(=O)[O-].[Na+].[Na+]
Computed Properties
- Exact Mass: 303.963
- Monoisotopic Mass: 303.963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 389
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 132
5-Methoxycarbonyl-3-(sodiooxysulfonyl)benzoic acid sodium salt Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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