Cas no 62396-88-7 (1,4-Benzenedicarboxaldehyde, 2,5-bis[bis(acetyloxy)methyl]-)
62396-88-7 structure
Product Name:1,4-Benzenedicarboxaldehyde, 2,5-bis[bis(acetyloxy)methyl]-
CAS No:62396-88-7
MF:C18H18O10
MW:394.329526424408
CID:446371
PubChem ID:12312536
Update Time:2025-04-19
1,4-Benzenedicarboxaldehyde, 2,5-bis[bis(acetyloxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxaldehyde, 2,5-bis[bis(acetyloxy)methyl]-
- [acetyloxy-[4-(diacetyloxymethyl)-2,5-diformylphenyl]methyl] acetate
- DTXSID30487406
- 62396-88-7
-
- Inchi: 1S/C18H18O10/c1-9(21)25-17(26-10(2)22)15-5-14(8-20)16(6-13(15)7-19)18(27-11(3)23)28-12(4)24/h5-8,17-18H,1-4H3
- InChI Key: HLDKXLQFOIDDSQ-UHFFFAOYSA-N
- SMILES: O(C(C)=O)C(C1C=C(C=O)C(C(OC(C)=O)OC(C)=O)=CC=1C=O)OC(C)=O
Computed Properties
- Exact Mass: 394.08994
- Monoisotopic Mass: 394.08999677g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 28
- Rotatable Bond Count: 12
- Complexity: 542
- 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: 0.3
- Topological Polar Surface Area: 139?2
Experimental Properties
- PSA: 139.34
1,4-Benzenedicarboxaldehyde, 2,5-bis[bis(acetyloxy)methyl]- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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