Cas no 162050-73-9 ((S)-2-Hydroxy-2-(p-tolyl)propanoic acid)
162050-73-9 structure
Product Name:(S)-2-Hydroxy-2-(p-tolyl)propanoic acid
CAS No:162050-73-9
MF:C10H12O3
MW:180.200483322144
CID:109881
PubChem ID:42614521
Update Time:2025-04-18
(S)-2-Hydroxy-2-(p-tolyl)propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- (S)-2-Hydroxy-2-(p-tolyl)propanoic acid
- (S)‐2‐HYDROXY‐2‐P‐TOLYLPROPIONIC ACID
- Benzeneacetic acid, a-hydroxy-a,4-dimethyl-, (S)- (9CI)
- (S)-2-hydroxy-2-methyl (4-methylbenzene)acetic acid
- (S)-2-hydroxy-2-p-tolyl-propionic acid
- (S)-2-Hydroxy-2-p-tolylpropionic acid
- (S)-2-Hydroxy-2-p-tolyl-propionsaeure
- H80060
- KB-04982
- (+)-p-Methylatrolactic acid
- (+)-4,α-Dimethyl-L-mandelic acid
- (-)-4,α-Dimethyl-D-mandelic acid
- [S,(+)]-α-Hydroxy-4-methylhydratropic acid
- [R,(-)]-α-Hydroxy-4-methylhydratropic acid
- [R,(-)]-α-Hydroxy-4,α-dimethylbenzeneacetic acid
- [S,(+)]-α-Hydroxy-4,α-dimethylbenzeneacetic acid
- DTXSID40655139
- (S)-2-HYDROXY-2-METHYL(4-METHYLBENZENE)ACETIC ACID
- (2S)-2-Hydroxy-2-(4-methylphenyl)propanoic acid
- 162050-73-9
- AKOS006295197
- (S)-2-hydroxy-2-p-tolylpropanoic acid
-
- Inchi： 1S/C10H12O3/c1-7-3-5-8(6-4-7)10(2,13)9(11)12/h3-6,13H,1-2H3,(H,11,12)/t10-/m0/s1
- InChI Key： LXGWCXBGZLLXHZ-JTQLQIEISA-N
- SMILES： O[C@@](C(=O)O)(C)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 180.079
- Monoisotopic Mass: 180.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 194
- 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
- Topological Polar Surface Area: 57.5A^2
- XLogP3: 1.4
Experimental Properties
- PSA: 57.53000
- LogP: 1.28710
(S)-2-Hydroxy-2-(p-tolyl)propanoic acid Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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