Cas no 7499-55-0 (Benzoic acid,2,3,5,6-tetramethyl-, 2,2-dimethylpropyl ester)
7499-55-0 structure
Product Name:Benzoic acid,2,3,5,6-tetramethyl-, 2,2-dimethylpropyl ester
CAS No:7499-55-0
MF:C16H24O2
MW:248.360565185547
CID:577326
PubChem ID:348397
Update Time:2025-04-19
Benzoic acid,2,3,5,6-tetramethyl-, 2,2-dimethylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,3,5,6-tetramethyl-, 2,2-dimethylpropyl ester
- 2,2-dimethylpropyl 2,3,5,6-tetramethylbenzoate
- 2,3,5,6-Tetramethylbenzoic acid, t-butylmethyl(ester)
- AC1L89GU
- AG-G-98717
- CTK5E0871
- Neopentyl 2,3,5,6-tetramethylbenzoate
- NSC407672
- NSC-407672
- 7499-55-0
- BENZOIC ACID, 2,3,5,6-TETRAMETHYL-, 2,2-DIMETHYLPROPYL ESTER
- UNII-ZZ49Z7P8ES
- Neopentyl 2,3,5,6-tetramethylbenzoate #
- WVOJUBWOSLBWCW-UHFFFAOYSA-N
- ZZ49Z7P8ES
- NSC 407672
- DTXSID10225949
-
- Inchi： 1S/C16H24O2/c1-10-8-11(2)13(4)14(12(10)3)15(17)18-9-16(5,6)7/h8H,9H2,1-7H3
- InChI Key： WVOJUBWOSLBWCW-UHFFFAOYSA-N
- SMILES： O(C(C1C(C)=C(C)C=C(C)C=1C)=O)CC(C)(C)C
Computed Properties
- Exact Mass: 248.17772
- Monoisotopic Mass: 248.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 276
- 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,2,3,5,6-tetramethyl-, 2,2-dimethylpropyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
7499-55-0 (Benzoic acid,2,3,5,6-tetramethyl-, 2,2-dimethylpropyl ester) Related Products
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