Cas no 62397-10-8 (1,3-Benzenedicarboxaldehyde, 4,6-bis[bis(acetyloxy)methyl]-)
![1,3-Benzenedicarboxaldehyde, 4,6-bis[bis(acetyloxy)methyl]- structure](https://ossimg.kuujia.com/scimg/62500/62397-10-8x500.png)
62397-10-8 structure
Product Name:1,3-Benzenedicarboxaldehyde, 4,6-bis[bis(acetyloxy)methyl]-
CAS No:62397-10-8
MF:C18H18O10
MW:394.329526424408
CID:446361
PubChem ID:12312537
Update Time:2025-04-19
1,3-Benzenedicarboxaldehyde, 4,6-bis[bis(acetyloxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxaldehyde, 4,6-bis[bis(acetyloxy)methyl]-
- [acetyloxy-[5-(diacetyloxymethyl)-2,4-diformylphenyl]methyl] acetate
- DTXSID90487407
- 62397-10-8
-
- Inchi： 1S/C18H18O10/c1-9(21)25-17(26-10(2)22)15-6-16(14(8-20)5-13(15)7-19)18(27-11(3)23)28-12(4)24/h5-8,17-18H,1-4H3
- InChI Key： AJCVBRWBIVIQHJ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(C1C(C=O)=CC(C=O)=C(C(OC(C)=O)OC(C)=O)C=1)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: 544
- 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
1,3-Benzenedicarboxaldehyde, 4,6-bis[bis(acetyloxy)methyl]- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
62397-10-8 (1,3-Benzenedicarboxaldehyde, 4,6-bis[bis(acetyloxy)methyl]-) Related Products
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