Cas no 62261-93-2 (Benzoic acid, 4-methyl-, 3,5-dimethylphenyl ester)
62261-93-2 structure
Product Name:Benzoic acid, 4-methyl-, 3,5-dimethylphenyl ester
CAS No:62261-93-2
MF:C16H16O2
MW:240.297044754028
CID:451975
PubChem ID:532505
Update Time:2025-04-19
Benzoic acid, 4-methyl-, 3,5-dimethylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-methyl-, 3,5-dimethylphenyl ester
- (3,5-dimethylphenyl) 4-methylbenzoate
- AKOS002261858
- 3.5-dimethylphenyl p-toluate
- p-Toluylic acid, 3,5-dimethylphenyl ester
- DTXSID50336346
- p-Toluic acid, 3,5-dimethylphenyl ester
- 62261-93-2
- 3,5-dimethylphenyl 4-methylbenzoate
-
- Inchi： 1S/C16H16O2/c1-11-4-6-14(7-5-11)16(17)18-15-9-12(2)8-13(3)10-15/h4-10H,1-3H3
- InChI Key： UDYNJQBTHMSEBU-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C)=CC=1)=O)C1C=C(C)C=C(C)C=1
Computed Properties
- Exact Mass: 240.11508
- Monoisotopic Mass: 240.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 269
- 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: 4.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 4-methyl-, 3,5-dimethylphenyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
62261-93-2 (Benzoic acid, 4-methyl-, 3,5-dimethylphenyl ester) Related Products
- 744-45-6(Diphenyl isophthalate)
- 93-44-7(naphthalen-2-yl benzoate)
- 10543-12-1(4-(Acetyloxy)-3-methoxybenzoic Acid)
- 93-99-2(Phenyl benzoate)
- 23676-09-7(Ethyl 4-ethoxybenzoate)
- 94-01-9(1,3-Dibenzoyloxybenzene)
- 2345-34-8(4-Acetoxybenzoic acid)
- 2150-37-0(Methyl 3,5-dimethoxybenzoate)
- 5368-81-0(Methyl 3-methoxybenzoate)
- 121-98-2(Methyl 4-methoxybenzoate)
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