Cas no 306297-20-1 (1,4-Benzenedicarboxylic acid, 2,6-dimethyl-, 1-(1,1-dimethylethyl) ester)
306297-20-1 structure
Product Name:1,4-Benzenedicarboxylic acid, 2,6-dimethyl-, 1-(1,1-dimethylethyl) ester
CAS No:306297-20-1
MF:C14H18O4
MW:250.290324687958
CID:3934471
PubChem ID:68457061
Update Time:2025-04-22
1,4-Benzenedicarboxylic acid, 2,6-dimethyl-, 1-(1,1-dimethylethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylic acid, 2,6-dimethyl-, 1-(1,1-dimethylethyl) ester
- 306297-20-1
- 4-(TERT-BUTOXYCARBONYL)-3,5-DIMETHYLBENZOIC ACID
- DTXSID601189378
- DB-205298
- 1-(1,1-Dimethylethyl) 2,6-dimethyl-1,4-benzenedicarboxylate
- AT39407
- SCHEMBL2958146
-
- Inchi： InChI=1S/C14H18O4/c1-8-6-10(12(15)16)7-9(2)11(8)13(17)18-14(3,4)5/h6-7H,1-5H3,(H,15,16)
- InChI Key： HYTZBQSUNSQYAM-UHFFFAOYSA-N
Computed Properties
- Exact Mass: 250.12050905Da
- Monoisotopic Mass: 250.12050905Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 317
- 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: 3
- Topological Polar Surface Area: 63.6?2
1,4-Benzenedicarboxylic acid, 2,6-dimethyl-, 1-(1,1-dimethylethyl) 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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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4. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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