Cas no 83253-51-4 (4-Tert-butoxy-3-methyl-4-oxobutanoic acid)
83253-51-4 structure
Product Name:4-Tert-butoxy-3-methyl-4-oxobutanoic acid
CAS No:83253-51-4
MF:C9H16O4
MW:188.220943450928
CID:2197380
PubChem ID:12761464
Update Time:2025-04-21
4-Tert-butoxy-3-methyl-4-oxobutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Tert-butoxy-3-methyl-4-oxobutanoic acid
- 4-(tert-Butoxy)-3-methyl-4-oxobutanoic acid
- 2-methyl-succinic acid 1-tert-butyl ester
- 83253-51-4
- SCHEMBL2705280
- Butanedioic acid, 2-methyl-, 1-(1,1-dimethylethyl) ester
- WEIVUQFKFVBQDY-UHFFFAOYSA-N
- 989-789-9
- DB-340444
- 3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
- 4-tert-butoxy-3-methyl-4-oxobutyric acid
-
- Inchi： 1S/C9H16O4/c1-6(5-7(10)11)8(12)13-9(2,3)4/h6H,5H2,1-4H3,(H,10,11)
- InChI Key： WEIVUQFKFVBQDY-UHFFFAOYSA-N
- SMILES： O(C(C(C)CC(=O)O)=O)C(C)(C)C
Computed Properties
- Exact Mass: 188.10485899Da
- Monoisotopic Mass: 188.10485899Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 63.6?2
4-Tert-butoxy-3-methyl-4-oxobutanoic acid Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
83253-51-4 (4-Tert-butoxy-3-methyl-4-oxobutanoic acid) Related Products
- 90016-14-1(1,2,3-Propanetricarboxylic acid, 1-(1,1-dimethylethyl) 2,3-diethyl ester)
- 185836-75-3((R)-4-(Tert-Butoxy)-2-methyl-4-oxobutanoic acid)
- 16537-12-5(Tert-butyl 2-methylbutanoate)
- 200866-61-1((R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester)
- 1426307-23-4(Butanoic acid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2R)-)
- 82701-21-1(2-(RS)-methyl-1,4-butanedioic acid 4-(1,1-dimethylethyl) 1-methyl ester)
- 121325-07-3((R)-3-(Tert-butoxycarbonyl)butanoic acid)
- 71648-27-6(Hexanoic acid,2-ethyl-, 1,1-dimethylethyl ester)
- 112106-16-8((R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid)
- 132195-93-8(tert-butyl 2-methyl-4-oxobutanoate)
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