Cas no 138487-94-2 (3,3'-Methylenedi(benzene-1,2-dicarboxylic acid))
138487-94-2 structure
Product Name:3,3'-Methylenedi(benzene-1,2-dicarboxylic acid)
CAS No:138487-94-2
MF:C17H12O8
MW:344.272385597229
CID:2773088
PubChem ID:21807283
Update Time:2025-04-21
3,3'-Methylenedi(benzene-1,2-dicarboxylic acid) Chemical and Physical Properties
Names and Identifiers
-
- 3,3'-Methylenedi(benzene-1,2-dicarboxylic acid)
- SCHEMBL23708
- DTXSID30618273
- 138487-94-2
-
- Inchi： 1S/C17H12O8/c18-14(19)10-5-1-3-8(12(10)16(22)23)7-9-4-2-6-11(15(20)21)13(9)17(24)25/h1-6H,7H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
- InChI Key： TYKLCAKICHXQNE-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)=CC=CC=1CC1C=CC=C(C(=O)O)C=1C(=O)O)=O
Computed Properties
- Exact Mass: 344.05321734Da
- Monoisotopic Mass: 344.05321734Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 509
- 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
- XLogP3: 1.9
- Topological Polar Surface Area: 149?2
3,3'-Methylenedi(benzene-1,2-dicarboxylic acid) Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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