Cas no 62696-40-6 (4-Pentenoic acid, 2-hydroxy-2-methyl-, (S)-)
62696-40-6 structure
Product Name:4-Pentenoic acid, 2-hydroxy-2-methyl-, (S)-
CAS No:62696-40-6
MF:C6H10O3
MW:130.141802310944
CID:434798
PubChem ID:14710062
Update Time:2025-04-19
4-Pentenoic acid, 2-hydroxy-2-methyl-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pentenoic acid, 2-hydroxy-2-methyl-, (S)-
- (2S)-2-hydroxy-2-methylpent-4-enoic acid
- AKOS006380563
- 62696-40-6
- DTXSID20563243
-
- Inchi： 1S/C6H10O3/c1-3-4-6(2,9)5(7)8/h3,9H,1,4H2,2H3,(H,7,8)/t6-/m0/s1
- InChI Key： NQRZSIPZBAMEPO-LURJTMIESA-N
- SMILES： O[C@@](C(=O)O)(C)CC=C
Computed Properties
- Exact Mass: 130.063
- Monoisotopic Mass: 130.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
4-Pentenoic acid, 2-hydroxy-2-methyl-, (S)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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