Cas no 115298-62-9 (2-Naphthalenecarboxylic acid, 1,1-dimethylethyl ester)
115298-62-9 structure
Product Name:2-Naphthalenecarboxylic acid, 1,1-dimethylethyl ester
CAS No:115298-62-9
MF:C15H16O2
MW:228.286344528198
CID:1204418
PubChem ID:21262076
Update Time:2025-04-20
2-Naphthalenecarboxylic acid, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylic acid, 1,1-dimethylethyl ester
- tert-butyl naphthalene-2-carboxylate
- SCHEMBL1415273
- 115298-62-9
- DB-150334
- 2-Naphthalenecarboxylic acid,1,1-dimethylethyl ester
- AKOS013211429
- DTXSID80611739
-
- Inchi： 1S/C15H16O2/c1-15(2,3)17-14(16)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3
- InChI Key： CEDBAUKSBZIMJQ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC2C=CC=CC=2C=1)=O)C(C)(C)C
Computed Properties
- Exact Mass: 228.115029749g/mol
- Monoisotopic Mass: 228.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- 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: 4.6
- Topological Polar Surface Area: 26.3?2
2-Naphthalenecarboxylic acid, 1,1-dimethylethyl ester Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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