Cas no 62648-74-2 (2-Naphthalenecarboxylic acid, 3-hydroxy-, 3-methylbutyl ester)
62648-74-2 structure
Product Name:2-Naphthalenecarboxylic acid, 3-hydroxy-, 3-methylbutyl ester
CAS No:62648-74-2
MF:C16H18O3
MW:258.312325000763
CID:436478
PubChem ID:54205670
Update Time:2025-04-19
2-Naphthalenecarboxylic acid, 3-hydroxy-, 3-methylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylic acid, 3-hydroxy-, 3-methylbutyl ester
- 3-methylbutyl 3-hydroxynaphthalene-2-carboxylate
- 62648-74-2
- DTXSID30709751
-
- Inchi： 1S/C16H18O3/c1-11(2)7-8-19-16(18)14-9-12-5-3-4-6-13(12)10-15(14)17/h3-6,9-11,17H,7-8H2,1-2H3
- InChI Key： PSHPISVJFAODCO-UHFFFAOYSA-N
- SMILES： O(C(C1C(=CC2C=CC=CC=2C=1)O)=O)CCC(C)C
Computed Properties
- Exact Mass: 258.12564
- Monoisotopic Mass: 258.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 300
- 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
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 4.9
Experimental Properties
- PSA: 46.53
2-Naphthalenecarboxylic acid, 3-hydroxy-, 3-methylbutyl ester Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
62648-74-2 (2-Naphthalenecarboxylic acid, 3-hydroxy-, 3-methylbutyl ester) Related Products
- 2052-14-4(Butyl salicylate)
- 6259-76-3(Hexyl salicylate)
- 87-20-7(Isoamyl salicylate)
- 19666-17-2(Benzoic acid,2-hydroxy-, tetradecyl ester)
- 19666-16-1(Benzoic acid,2-hydroxy-, tridecyl ester)
- 34377-38-3(Isoamyl salicylate)
- 2050-08-0(2-Hydroxybenzoic Acid Pentyl Ester)
- 118-60-5(Octisalate)
- 6969-49-9(Octyl salicylate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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