Cas no 61624-15-5 ( )
structure
Product Name:
CAS No:61624-15-5
MF:C12H14O4
MW:222.237164020538
CID:954822
PubChem ID:312023
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-acetyloxy-2-phenylacetate
- AC1L7KFE
- AGN-PC-0061Q2
- ethyl (acetyloxy)(phenyl)acetate
- ethyl 2-acetyloxy-2-phenyl-acetate
- NSC220070
- NSC-220070
- 61624-15-5
- DTXSID10309950
-
-
- Inchi： 1S/C12H14O4/c1-3-15-12(14)11(16-9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
- InChI Key： VTVRQPAFUYRQQH-UHFFFAOYSA-N
- SMILES： CCOC(C(C1C=CC=CC=1)OC(=O)C)=O
Computed Properties
- Exact Mass: 222.08922
- Monoisotopic Mass: 222.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 243
- 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: 2.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
- LogP: 1.85390
Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
61624-15-5 ( ) Related Products
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- 32174-46-2((R)-Methyl 2-methoxy-2-phenylacetate)
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- 10606-72-1(Ethyl (R)-(-)-mandelate)
- 13704-09-1(Ethyl (S)-(+)-mandelate)
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