Cas no 62261-94-3 (Benzoic acid, 2-methyl-, 3,5-dimethylphenyl ester)
62261-94-3 structure
Product Name:Benzoic acid, 2-methyl-, 3,5-dimethylphenyl ester
CAS No:62261-94-3
MF:C16H16O2
MW:240.297044754028
CID:451974
PubChem ID:532243
Update Time:2025-04-19
Benzoic acid, 2-methyl-, 3,5-dimethylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-methyl-, 3,5-dimethylphenyl ester
- (3,5-dimethylphenyl) 2-methylbenzoate
- 3,5-dimethylphenyl o-toluate
- 62261-94-3
- o-Toluylic acid, 3,5-dimethylphenyl ester
- o-Toluic acid, 3,5-dimethylphenyl ester
- AKOS002948504
- DTXSID20336318
-
- Inchi： 1S/C16H16O2/c1-11-8-12(2)10-14(9-11)18-16(17)15-7-5-4-6-13(15)3/h4-10H,1-3H3
- InChI Key： KQHWCEXXLBPFQU-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C)=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: 277
- 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: 5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2-methyl-, 3,5-dimethylphenyl ester Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
62261-94-3 (Benzoic acid, 2-methyl-, 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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