Cas no 163389-15-9 (Butanedioic acid, pentyl-, 1-(1,1-dimethylethyl) ester, (R)-)
163389-15-9 structure
Product Name:Butanedioic acid, pentyl-, 1-(1,1-dimethylethyl) ester, (R)-
CAS No:163389-15-9
MF:C13H24O4
MW:244.327264785767
CID:1346918
Update Time:2024-08-17
Butanedioic acid, pentyl-, 1-(1,1-dimethylethyl) ester, (R)- Chemical and Physical Properties
Names and Identifiers
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- Butanedioic acid, pentyl-, 1-(1,1-dimethylethyl) ester, (R)-
- Butanedioic acid, pentyl-, 1-(1,1-dimethylethyl) ester, (R)- (9CI)
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- Inchi： 1S/C13H24O4/c1-5-6-7-8-10(9-11(14)15)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,15)/t10-/m1/s1
- InChI Key： KVICSPMDEJJFOE-SNVBAGLBSA-N
- SMILES： C(OC(C)(C)C)(=O)[C@H](CCCCC)CC(O)=O
Computed Properties
- Exact Mass: 243.15969
Experimental Properties
- Density: 1.011±0.06 g/cm3(Predicted)
- Boiling Point: 345.8±25.0 °C(Predicted)
- PSA: 66.43
- pka: 4.51±0.19(Predicted)
Butanedioic acid, pentyl-, 1-(1,1-dimethylethyl) ester, (R)- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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