Cas no 636-36-2 (alpha-hydroxycaproicacid)
alpha-hydroxycaproicacid structure
Product Name:alpha-hydroxycaproicacid
alpha-hydroxycaproicacid Chemical and Physical Properties
Names and Identifiers
-
- alpha-hydroxycaproicacid
- 5-[(2,4-diethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
- DL-ALPHA-HYDROXYCAPROIC ACID
- 4,6(1h,5h)-pyrimidinedione, 5-[(2,4-diethoxyphenyl)methylene]dihydro-1,3-dimethyl-2-thioxo-
- 636-36-2
- 5-(2,4-diethoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
- 5-(2,4-diethoxybenzylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
- DTXSID40351881
- AKOS000325742
- STK187271
-
- Inchi： 1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
- InChI Key： NYHNVHGFPZAZGA-UHFFFAOYSA-N
- SMILES： CCCCC(C(=O)O)O
Computed Properties
- Exact Mass: 348.11437830g/mol
- Monoisotopic Mass: 348.11437830g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 523
- 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: 2.6
- Topological Polar Surface Area: 91.2?2
Experimental Properties
- Density: 1.0160 (rough estimate)
- Melting Point: 61.3°C
- Boiling Point: 277.83°C (rough estimate)
- Refractive Index: 1.4880 (estimate)
alpha-hydroxycaproicacid Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
636-36-2 (alpha-hydroxycaproicacid) Related Products
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- 157663-13-3(L-Gluconicacid)
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