Cas no 89378-61-0 (Butanoic acid, 1-phenylethyl ester, (R)-)
89378-61-0 structure
Product Name:Butanoic acid, 1-phenylethyl ester, (R)-
CAS No:89378-61-0
MF:C12H16O2
MW:192.254243850708
CID:602589
Update Time:2024-01-31
Butanoic acid, 1-phenylethyl ester, (R)- Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 1-phenylethyl ester, (R)-
- Butanoic acid, (1R)-1-phenylethyl ester
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- Inchi： 1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/t10-/m1/s1
- InChI Key： GGKADXREVJTZMF-SNVBAGLBSA-N
- SMILES： C(O[C@@H](C1=CC=CC=C1)C)(=O)CCC
Computed Properties
- Exact Mass: 192.115
- Monoisotopic Mass: 192.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- 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: 26.3A^2
Experimental Properties
- Density: 0.998±0.06 g/cm3(Predicted)
- Boiling Point: 60-63 °C(Press: 4 Torr)
Butanoic acid, 1-phenylethyl ester, (R)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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