Cas no 97885-08-0 (5-Hydroxy-2,2,4-trimethylpentanoic acid)
97885-08-0 structure
Product Name:5-Hydroxy-2,2,4-trimethylpentanoic acid
CAS No:97885-08-0
MF:C8H16O3
MW:160.210843086243
CID:2820402
PubChem ID:71331755
Update Time:2025-04-21
5-Hydroxy-2,2,4-trimethylpentanoic acid Chemical and Physical Properties
Names and Identifiers
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- 2,2,4-trimethyl-5-hydroxypentanoic acid
- DTXSID00760298
- DTXCID80711041
- 97885-08-0
- 5-Hydroxy-2,2,4-trimethylpentanoic acid
-
- Inchi： 1S/C8H16O3/c1-6(5-9)4-8(2,3)7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)
- InChI Key： DSVCXFOUJCSNHM-UHFFFAOYSA-N
- SMILES： OCC(C)CC(C(=O)O)(C)C
Computed Properties
- Exact Mass: 160.109944368Da
- Monoisotopic Mass: 160.109944368Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 140
- 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: 57.5?2
5-Hydroxy-2,2,4-trimethylpentanoic acid Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
97885-08-0 (5-Hydroxy-2,2,4-trimethylpentanoic acid) Related Products
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