Cas no 95823-36-2 (Carboxylic acids,C6-8-neo-)
Carboxylic acids,C6-8-neo- structure
Product Name:Carboxylic acids,C6-8-neo-
Carboxylic acids,C6-8-neo- Chemical and Physical Properties
Names and Identifiers
-
- Carboxylic acids,C6-8-neo-
- NEOHEPTANOIC ACID
- 4,4-dimethyl valeric acid
- 4,4-dimethyl-pentanoic acid
- Pentanoic acid, 4,4-dimethyl-
- 4,4-DIMETHYLPENTANOICACID
- Pentanoic acid,4,4-dimethyl-
- InChI=1/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9
- NCIOpen2_002964
- 95823-36-2
- FT-0681341
- HMMSZUQCCUWXRA-UHFFFAOYSA-N
- NS00121982
- Z819990896
- MFCD00101613
- SCHEMBL120318
- CHEMBL4873436
- SY065055
- CS-0440906
- AB7068
- BS-13107
- 1118-47-4
- 4,4-DIMETHYLVALERIC ACID
- AKOS005111150
- CHEBI:180005
- 4,4-dimethylpentanoic acid
- EN300-80467
- LMFA01020144
- BB 0260734
- 4,4-dimethyl pentanoic acid
- 4,4-dimethylpentanoic acid, AldrichCPR
- DTXSID30880579
-
- Inchi： 1S/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
- InChI Key： HMMSZUQCCUWXRA-UHFFFAOYSA-N
- SMILES： OC(CCC(C)(C)C)=O
Computed Properties
- Exact Mass: 130.099379685g/mol
- Monoisotopic Mass: 130.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 100
- 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: 1.8
- Topological Polar Surface Area: 37.3?2
Carboxylic acids,C6-8-neo- Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
95823-36-2 (Carboxylic acids,C6-8-neo-) Related Products
- 1338-24-5(Naphthenic acids)
- 626-51-7(3-Methylglutaric acid)
- 4839-46-7(3,3-Dimethylglutaric Acid)
- 140-77-2(3-Cyclopentylpropionic acid)
- 646-07-1(4-Methylpentanoic acid)
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- 3058-01-3(3-Methyladipic acid)
- 681-57-2(2,2-Dimethylglutaric acid)
- 105-43-1(3-methylpentanoic acid)
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