Cas no 67897-33-0 (1,3-Benzenedicarboxylic acid, 4,6-diacetyl-)
67897-33-0 structure
Product Name:1,3-Benzenedicarboxylic acid, 4,6-diacetyl-
CAS No:67897-33-0
MF:C12H10O6
MW:250.204204082489
CID:393966
PubChem ID:20591051
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 4,6-diacetyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 4,6-diacetyl-
- 4,6-diacetylbenzene-1,3-dicarboxylic acid
- DTXSID10608975
- SCHEMBL13085841
- 67897-33-0
-
- Inchi： 1S/C12H10O6/c1-5(13)7-3-8(6(2)14)10(12(17)18)4-9(7)11(15)16/h3-4H,1-2H3,(H,15,16)(H,17,18)
- InChI Key： AZFOTJCZALBCSZ-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=C(C(C)=O)C(C(=O)O)=CC=1C(=O)O
Computed Properties
- Exact Mass: 250.04773803g/mol
- Monoisotopic Mass: 250.04773803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 363
- 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: 109?2
1,3-Benzenedicarboxylic acid, 4,6-diacetyl- Related Literature
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
67897-33-0 (1,3-Benzenedicarboxylic acid, 4,6-diacetyl-) Related Products
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