Cas no 68083-66-9 (4,4'-propane-2,2-diyldiphenol - (2E)-but-2-enedioic acid (1:1))
68083-66-9 structure
Product Name:4,4'-propane-2,2-diyldiphenol - (2E)-but-2-enedioic acid (1:1)
CAS No:68083-66-9
MF:C19H20O6
MW:344.358506202698
CID:1724018
PubChem ID:6455730
Update Time:2025-04-21
4,4'-propane-2,2-diyldiphenol - (2E)-but-2-enedioic acid (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 4,4'-propane-2,2-diyldiphenol - (2E)-but-2-enedioic acid (1:1)
- (E)-but-2-enedioic acid,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
- SCHEMBL11694690
- 68083-66-9
-
- Inchi： 1S/C15H16O2.C4H4O4/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;5-3(6)1-2-4(7)8/h3-10,16-17H,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
- InChI Key： SESIYFLKYWKHJD-WLHGVMLRSA-N
- SMILES： OC1C=CC(=CC=1)C(C)(C)C1C=CC(=CC=1)O.OC(/C=C/C(=O)O)=O
Computed Properties
- Exact Mass: 344.126
- Monoisotopic Mass: 344.125988
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 328
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 115
Experimental Properties
- Boiling Point: 400.8°C at 760 mmHg
- Flash Point: 192.5°C
- PSA: 115.06
4,4'-propane-2,2-diyldiphenol - (2E)-but-2-enedioic acid (1:1) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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