Cas no 63898-92-0 (Phenol, 2,6-dimethyl-, 2-aminobenzoate)
63898-92-0 structure
Product Name:Phenol, 2,6-dimethyl-, 2-aminobenzoate
CAS No:63898-92-0
MF:C15H17NO3
MW:259.300384283066
CID:425485
PubChem ID:71380747
Update Time:2025-04-19
Phenol, 2,6-dimethyl-, 2-aminobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,6-dimethyl-, 2-aminobenzoate
- 2-aminobenzoic acid,2,6-dimethylphenol
- DTXSID90803244
- 2-Aminobenzoic acid--2,6-dimethylphenol (1/1)
- 63898-92-0
-
- Inchi： 1S/C8H10O.C7H7NO2/c1-6-4-3-5-7(2)8(6)9;8-6-4-2-1-3-5(6)7(9)10/h3-5,9H,1-2H3;1-4H,8H2,(H,9,10)
- InChI Key： DAZVCGSIFZROBS-UHFFFAOYSA-N
- SMILES： OC1C(C)=CC=CC=1C.OC(C1C=CC=CC=1N)=O
Computed Properties
- Exact Mass: 259.12091
- Monoisotopic Mass: 259.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 216
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- PSA: 83.55
Phenol, 2,6-dimethyl-, 2-aminobenzoate Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
63898-92-0 (Phenol, 2,6-dimethyl-, 2-aminobenzoate) Related Products
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