Cas no 62262-11-7 (Benzoic acid, 2,4-dimethyl-, 3,5-dimethylphenyl ester)
62262-11-7 structure
Product Name:Benzoic acid, 2,4-dimethyl-, 3,5-dimethylphenyl ester
CAS No:62262-11-7
MF:C17H18O2
MW:254.323625087738
CID:451959
PubChem ID:20341516
Update Time:2025-04-19
Benzoic acid, 2,4-dimethyl-, 3,5-dimethylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,4-dimethyl-, 3,5-dimethylphenyl ester
- (3,5-dimethylphenyl) 2,4-dimethylbenzoate
- 3,5-Dimethylphenyl 2,4-dimethylbenzoate
- SCHEMBL11489237
- 62262-11-7
- DTXSID80605693
-
- Inchi： 1S/C17H18O2/c1-11-5-6-16(14(4)8-11)17(18)19-15-9-12(2)7-13(3)10-15/h5-10H,1-4H3
- InChI Key： BMAYJZCKVOIFGC-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C)=CC=1C)=O)C1C=C(C)C=C(C)C=1
Computed Properties
- Exact Mass: 254.13074
- Monoisotopic Mass: 254.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 302
- 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: 4.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2,4-dimethyl-, 3,5-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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
62262-11-7 (Benzoic acid, 2,4-dimethyl-, 3,5-dimethylphenyl ester) Related Products
- 724-98-1(2-(Phenoxymethyl)benzoic acid)
- 744-45-6(Diphenyl isophthalate)
- 168899-58-9(3-Acetoxy-2-methylbenzoic acid)
- 2444-19-1(4-Hydroxyphenyl benzoate)
- 84-62-8(Diphenyl phthalate)
- 93-99-2(Phenyl benzoate)
- 17819-91-9(4-(Benzyloxy)-2-methylbenzoic acid)
- 17696-62-7(Phenyl 4-hydroxybenzoate)
- 1539-04-4(1,4-diphenyl benzene-1,4-dicarboxylate)
- 108593-47-1(Methyl 3-ethoxybenzoate)
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