Cas no 137654-26-3 (Pentanedioic acid, 3-phenyl-, monoethyl ester, (S)-)
137654-26-3 structure
Product Name:Pentanedioic acid, 3-phenyl-, monoethyl ester, (S)-
CAS No:137654-26-3
MF:C13H16O4
MW:236.263744354248
CID:1245616
Update Time:2024-08-04
Pentanedioic acid, 3-phenyl-, monoethyl ester, (S)- Chemical and Physical Properties
Names and Identifiers
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- Pentanedioic acid, 3-phenyl-, monoethyl ester, (S)-
- Pentanedioic acid, 3-phenyl-, 1-ethyl ester, (3S)-
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- Inchi： 1S/C13H16O4/c1-2-17-13(16)9-11(8-12(14)15)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15)/t11-/m0/s1
- InChI Key： YRTMKJSCLUJGPA-NSHDSACASA-N
- SMILES： C(OCC)(=O)C[C@@H](C1=CC=CC=C1)CC(O)=O
Computed Properties
- Exact Mass: 236.10488
Experimental Properties
- Density: 1.160±0.06 g/cm3(Predicted)
- Melting Point: 58-59 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
- Boiling Point: 374.7±30.0 °C(Predicted)
- PSA: 63.6
- pka: 4.46±0.10(Predicted)
Pentanedioic acid, 3-phenyl-, monoethyl ester, (S)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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