Cas no 58543-13-8 (3,4-Bis(acetyloxy)benzoate)
3,4-Bis(acetyloxy)benzoate structure
Product Name:3,4-Bis(acetyloxy)benzoate
CAS No:58543-13-8
MF:C11H9O6
MW:237.185563802719
CID:379292
PubChem ID:4745095
Update Time:2024-02-29
3,4-Bis(acetyloxy)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Tachistin (9CI)
- tachistin
- 3,4-bis(acetyloxy)benzoate
- 3,4-Bis(acetyloxy)benzoate
-
- Inchi： 1S/C11H10O6/c1-6(12)16-9-4-3-8(11(14)15)5-10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)/p-1
- InChI Key： FJVSTYFZOUSZCS-UHFFFAOYSA-M
- SMILES： O(C(C)=O)C1C=C(C(=O)[O-])C=CC=1OC(C)=O
Computed Properties
- Exact Mass: 237.03991300g/mol
- Monoisotopic Mass: 237.03991300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 318
- 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: 1.8
- Topological Polar Surface Area: 92.7
3,4-Bis(acetyloxy)benzoate Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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