Cas no 70875-96-6 (Benzoic acid,2-(acetyloxy)-, zinc salt (2:1))
70875-96-6 structure
Product Name:Benzoic acid,2-(acetyloxy)-, zinc salt (2:1)
CAS No:70875-96-6
MF:C18H14O8Zn
MW:423.70796251297
CID:570868
PubChem ID:155576
Update Time:2025-04-19
Benzoic acid,2-(acetyloxy)-, zinc salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-(acetyloxy)-, zinc salt (2:1)
- zinc o-acetylsalicylate
- zinc,2-acetyloxybenzoate
- zinc bis[2-(acetyloxy)benzoate]
- EINECS 274-970-0
- ACETYLSALICYLATE ZINC
- Zinc aspirin
- NS00091635
- BENZOIC ACID, 2-(ACETYLOXY)-, ZINC SALT
- BENZOIC ACID, 2-(ACETYLOXY)-, ZINC SALT (2:1)
- 8649Y4P3PA
- ACETYLSALICYLATE ZINC [WHO-DD]
- DTXSID30221105
- UNII-8649Y4P3PA
- 70875-96-6
-
- Inchi: 1S/2C9H8O4.Zn/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*2-5H,1H3,(H,11,12);/q;;+2/p-2
- InChI Key: QERFJLRDDKQIKF-UHFFFAOYSA-L
- SMILES: [Zn+2].O(C(C)=O)C1C=CC=CC=1C(=O)[O-].O(C(C)=O)C1C=CC=CC=1C(=O)[O-]
Computed Properties
- Exact Mass: 426.02924
- Monoisotopic Mass: 421.998
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 206
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 133?2
Experimental Properties
- Boiling Point: 321.4°C at 760 mmHg
- Flash Point: 131.2°C
- PSA: 154.86
Benzoic acid,2-(acetyloxy)-, zinc salt (2:1) 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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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