Cas no 88952-19-6 (Benzoic acid, 2-methoxy-, 2-acetyl-4,6-dimethylphenyl ester)
88952-19-6 structure
Product Name:Benzoic acid, 2-methoxy-, 2-acetyl-4,6-dimethylphenyl ester
CAS No:88952-19-6
MF:C18H18O4
MW:298.333125591278
CID:618622
PubChem ID:13190822
Update Time:2025-04-19
Benzoic acid, 2-methoxy-, 2-acetyl-4,6-dimethylphenyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-methoxy-, 2-acetyl-4,6-dimethylphenyl ester
- (2-acetyl-4,6-dimethylphenyl) 2-methoxybenzoate
- DTXSID50526023
- 2-Acetyl-4,6-dimethylphenyl 2-methoxybenzoate
- 88952-19-6
-
- Inchi： 1S/C18H18O4/c1-11-9-12(2)17(15(10-11)13(3)19)22-18(20)14-7-5-6-8-16(14)21-4/h5-10H,1-4H3
- InChI Key： AGGCVTULRMLMSF-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1OC)=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, 2-methoxy-, 2-acetyl-4,6-dimethylphenyl ester Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
88952-19-6 (Benzoic acid, 2-methoxy-, 2-acetyl-4,6-dimethylphenyl ester) Related Products
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