Cas no 136839-86-6 (Propanedioic acid, [3-oxo-2-(phenylmethyl)butyl]-, dimethyl ester)
![Propanedioic acid, [3-oxo-2-(phenylmethyl)butyl]-, dimethyl ester structure](https://ossimg.kuujia.com/scimg/137000/136839-86-6x500.png)
136839-86-6 structure
Product Name:Propanedioic acid, [3-oxo-2-(phenylmethyl)butyl]-, dimethyl ester
CAS No:136839-86-6
MF:C16H20O5
MW:292.327005386353
CID:1240986
Update Time:2024-08-04
Propanedioic acid, [3-oxo-2-(phenylmethyl)butyl]-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, [3-oxo-2-(phenylmethyl)butyl]-, dimethyl ester
- Propanedioic acid, 2-[3-oxo-2-(phenylmethyl)butyl]-, 1,3-dimethyl ester
-
- Inchi： 1S/C16H20O5/c1-11(17)13(9-12-7-5-4-6-8-12)10-14(15(18)20-2)16(19)21-3/h4-8,13-14H,9-10H2,1-3H3
- InChI Key： CXHTZZPUCOTGLG-UHFFFAOYSA-N
- SMILES： C(OC)(=O)C(CC(CC1=CC=CC=C1)C(=O)C)C(OC)=O
Computed Properties
- Exact Mass: 292.1311
Experimental Properties
- Density: 1.128±0.06 g/cm3(Predicted)
- Boiling Point: 402.9±45.0 °C(Predicted)
- PSA: 69.67
- pka: 12.44±0.59(Predicted)
Propanedioic acid, [3-oxo-2-(phenylmethyl)butyl]-, dimethyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
136839-86-6 (Propanedioic acid, [3-oxo-2-(phenylmethyl)butyl]-, dimethyl ester) Related Products
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