Cas no 1460-46-4 (Benzeneacetic acid, a-cyclopropyl-a-hydroxy-)
1460-46-4 structure
Product Name:Benzeneacetic acid, a-cyclopropyl-a-hydroxy-
Benzeneacetic acid, a-cyclopropyl-a-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-cyclopropyl-a-hydroxy-
- 2-cyclopropyl-2-hydroxy-2-phenylacetic acid
- α-Cyclopropyl-α-hydroxybenzeneacetic acid
- α-Cyclopropylmandelic acid
- α-Phenylcyclopropaneglycolic acid
- cyclopropyl(hydroxy)phenylacetic acid
- alpha-Cyclopropyl-alpha-hydroxybenzeneacetic acid
- alpha-Cyclopropylmandelic acid
- SCHEMBL2764040
- BRN 2099019
- DTXSID10932747
- MANDELIC ACID, alpha-CYCLOPROPYL-
- Cyclopropylphenyl glycollic acid
- 1460-46-4
-
- Inchi: 1S/C11H12O3/c12-10(13)11(14,9-6-7-9)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,13)
- InChI Key: APPYFFBRMGXDFO-UHFFFAOYSA-N
- SMILES: OC(C(=O)O)(C1C=CC=CC=1)C1CC1
Computed Properties
- Exact Mass: 192.07866
- Monoisotopic Mass: 192.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 229
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Benzeneacetic acid, a-cyclopropyl-a-hydroxy- Related Literature
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
1460-46-4 (Benzeneacetic acid, a-cyclopropyl-a-hydroxy-) Related Products
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- 427-49-6(2-cyclopentyl-2-hydroxy-2-phenylacetic acid)
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