Cas no 3966-31-2 (Benzeneacetic acid, a-ethyl-a-hydroxy-, (aR)-)
3966-31-2 structure
Product Name:Benzeneacetic acid, a-ethyl-a-hydroxy-, (aR)-
CAS No:3966-31-2
MF:C10H12O3
MW:180.200483322144
CID:296834
PubChem ID:7188281
Update Time:2025-04-19
Benzeneacetic acid, a-ethyl-a-hydroxy-, (aR)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-ethyl-a-hydroxy-, (aR)-
- (2R)-2-hydroxy-2-phenylbutanoic acid
- (R)-2-Hydroxy-2-phenylbutyric acid
- SCHEMBL5570579
- (R)-2-Hydroxy-2-phenylbutyric acid,96%
- 3966-31-2
- starbld0001300
- (R)-2-Hydroxy-2-phenylbutanoic acid
- AKOS015891164
- DTXSID10428377
-
- Inchi： 1S/C10H12O3/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,11,12)/t10-/m1/s1
- InChI Key： QYCBZFRDGXIZIP-SNVBAGLBSA-N
- SMILES： O[C@@](C(=O)O)(C1C=CC=CC=1)CC
Computed Properties
- Exact Mass: 180.078644241g/mol
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 185
- 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: 1.8
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Melting Point: 106-113?°C
- PSA: 57.53000
- LogP: 1.36880
Benzeneacetic acid, a-ethyl-a-hydroxy-, (aR)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
3966-31-2 (Benzeneacetic acid, a-ethyl-a-hydroxy-, (aR)-) Related Products
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