Cas no 26657-75-0 (1,2-Benzenedicarboxylicacid, sulfo-)
26657-75-0 structure
Product Name:1,2-Benzenedicarboxylicacid, sulfo-
CAS No:26657-75-0
MF:C8H6O7S
MW:246.194041728973
CID:286230
PubChem ID:105970
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, sulfo- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, sulfo-
- 3-Sulfophthalic acid
- 3-sulfobenzene-1,2-dicarboxylic acid
- Sulphophthalic acid
- SDGNNLQZAPXALR-UHFFFAOYSA-N
- 3-Sulphophthalic acid
- DTXSID2070768
- CS-0379133
- EINECS 247-885-1
- 3-Sulfo-1,2-benzenedicarboxylic acid
- 67892-43-7
- 1,2-Benzenedicarboxylic acid, 3-sulfo-
- 26657-75-0
- NS00087069
- SCHEMBL60211
- NS00083960
- sulfophthalic acid
- EINECS 267-576-5
- VUT7659JSK
-
- Inchi： 1S/C8H6O7S/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
- InChI Key： SDGNNLQZAPXALR-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C(=O)O)C=1C(=O)O)(=O)(=O)O
Computed Properties
- Exact Mass: 245.98338
- Monoisotopic Mass: 245.983423
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 393
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 137
- XLogP3: -0.3
Experimental Properties
- Density: 1.793
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.643
- PSA: 128.97
1,2-Benzenedicarboxylicacid, sulfo- Related Literature
-
Goutam Mahata,Sandipan Roy,Kumar Biradha Chem. Commun. 2011 47 6614
-
Pierre Thuéry CrystEngComm 2013 15 2401
-
Ye Zhang,Zhen-An Qiao,Junmin Liu,Xue Wang,Shuo Yao,Tao Wang,Bing Liu,Yali Ma,Yunling Liu,Qisheng Huo Dalton Trans. 2016 45 265
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