Cas no 106315-78-0 (Benzoic acid, 2,4-bis(acetyloxy)-, methyl ester)
106315-78-0 structure
Product Name:Benzoic acid, 2,4-bis(acetyloxy)-, methyl ester
CAS No:106315-78-0
MF:C12H12O6
MW:252.220084190369
CID:1175505
PubChem ID:10933975
Update Time:2025-04-20
Benzoic acid, 2,4-bis(acetyloxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,4-bis(acetyloxy)-, methyl ester
- methyl 2,4-diacetyloxybenzoate
- 2,4-DIACETOXYBENZOIC ACID METHYL ESTER
- AGN-PC-0ND2T1
- SCHEMBL7952926
- 106315-78-0
- DTXSID10448919
-
- Inchi： 1S/C12H12O6/c1-7(13)17-9-4-5-10(12(15)16-3)11(6-9)18-8(2)14/h4-6H,1-3H3
- InChI Key： YUYFMDXTTNCFJG-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=C(C=CC=1C(=O)OC)OC(C)=O
Computed Properties
- Exact Mass: 252.06336
- Monoisotopic Mass: 252.06338810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 338
- 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: 1.2
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
- LogP: 1.32380
Benzoic acid, 2,4-bis(acetyloxy)-, methyl ester Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
106315-78-0 (Benzoic acid, 2,4-bis(acetyloxy)-, methyl ester) Related Products
- 132-54-7(Phenyl 1-hydroxy-2-naphthoate)
- 5446-02-6(Methyl 4-methoxysalicylate)
- 54978-55-1(Phenyl 1,4-dihydroxy-2-naphthoate)
- 6290-24-0(Ethyl 2-ethoxybenzoate)
- 552-94-3(Salsalate)
- 606-45-1(Methyl 2-methoxybenzoate)
- 2065-27-2(Methyl 2,6-dimethoxybenzoate)
- 3686-55-3(Methyl 2-ethoxybenzoate)
- 118-55-8(Phenyl salicylate)
- 50-78-2(Aspirin)
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