Cas no 88952-20-9 (Benzoic acid, 3-methoxy-, 2-acetyl-4,6-dimethylphenyl ester)
88952-20-9 structure
Product Name:Benzoic acid, 3-methoxy-, 2-acetyl-4,6-dimethylphenyl ester
CAS No:88952-20-9
MF:C18H18O4
MW:298.333125591278
CID:618621
PubChem ID:13190823
Update Time:2025-04-19
Benzoic acid, 3-methoxy-, 2-acetyl-4,6-dimethylphenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-methoxy-, 2-acetyl-4,6-dimethylphenyl ester
- (2-acetyl-4,6-dimethylphenyl) 3-methoxybenzoate
- 2-Acetyl-4,6-dimethylphenyl 3-methoxybenzoate
- DTXSID10526024
- 88952-20-9
-
- Inchi： 1S/C18H18O4/c1-11-8-12(2)17(16(9-11)13(3)19)22-18(20)14-6-5-7-15(10-14)21-4/h5-10H,1-4H3
- InChI Key： ZHRDANHXHVHGCG-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C=1)OC)=O)C1C(C(C)=O)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 298.12050905g/mol
- Monoisotopic Mass: 298.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 406
- 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: 3.7
- Topological Polar Surface Area: 52.6?2
Benzoic acid, 3-methoxy-, 2-acetyl-4,6-dimethylphenyl 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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
88952-20-9 (Benzoic acid, 3-methoxy-, 2-acetyl-4,6-dimethylphenyl ester) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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