Cas no 757219-38-8 (Hexanoic acid, 3-hydroxy-3-methyl-, (3S)-)
757219-38-8 structure
Product Name:Hexanoic acid, 3-hydroxy-3-methyl-, (3S)-
CAS No:757219-38-8
MF:C7H14O3
MW:146.184262752533
CID:539065
PubChem ID:51533270
Update Time:2025-04-19
Hexanoic acid, 3-hydroxy-3-methyl-, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 3-hydroxy-3-methyl-, (3S)-
- (3S)-3-hydroxy-3-methylhexanoic acid
- DTXSID60680165
- 757219-38-8
- SCHEMBL2153315
- (S)-3-Hydroxy-3-methylhexanoic acid
-
- Inchi： 1S/C7H14O3/c1-3-4-7(2,10)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9)/t7-/m0/s1
- InChI Key： RGRNSTGIHROKJB-ZETCQYMHSA-N
- SMILES： O[C@](C)(CC(=O)O)CCC
Computed Properties
- Exact Mass: 146.09432
- Monoisotopic Mass: 146.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 122
- 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
Hexanoic acid, 3-hydroxy-3-methyl-, (3S)- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
757219-38-8 (Hexanoic acid, 3-hydroxy-3-methyl-, (3S)-) Related Products
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