Cas no 27334-45-8 (Benzoic acid, 2-(1,1-dimethylethyl)-, methyl ester)
27334-45-8 structure
Product Name:Benzoic acid, 2-(1,1-dimethylethyl)-, methyl ester
CAS No:27334-45-8
MF:C12H16O2
MW:192.254243850708
CID:1429985
PubChem ID:19042498
Update Time:2025-04-20
Benzoic acid, 2-(1,1-dimethylethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(1,1-dimethylethyl)-, methyl ester
- methyl 2-tert-butylbenzoate
- AKOS020228210
- 27334-45-8
- SCHEMBL1788233
- FYUGIEMMGZXLBS-UHFFFAOYSA-N
- methyl tert-butylbenzoate
- tert.-butyl benzoic acid methyl ester
- DTXSID70597654
- Methyl 2-(tert-butyl)benzoate
-
- Inchi： 1S/C12H16O2/c1-12(2,3)10-8-6-5-7-9(10)11(13)14-4/h5-8H,1-4H3
- InChI Key： FYUGIEMMGZXLBS-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC=CC=1C(C)(C)C)=O
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 203
- 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: 4.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2-(1,1-dimethylethyl)-, methyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
27334-45-8 (Benzoic acid, 2-(1,1-dimethylethyl)-, methyl ester) Related Products
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