Cas no 90139-09-6 (Butanedioic acid, 2-hydroxy-2-(1-methylethyl)-, dimethyl ester, (S)-)
90139-09-6 structure
Product Name:Butanedioic acid, 2-hydroxy-2-(1-methylethyl)-, dimethyl ester, (S)-
CAS No:90139-09-6
MF:C9H16O5
MW:204.220343589783
CID:793478
PubChem ID:71430128
Update Time:2025-04-19
Butanedioic acid, 2-hydroxy-2-(1-methylethyl)-, dimethyl ester, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, 2-hydroxy-2-(1-methylethyl)-, dimethyl ester, (S)-
- dimethyl (2S)-2-hydroxy-2-propan-2-ylbutanedioate
- DTXSID90848776
- Dimethyl (2S)-2-hydroxy-2-(propan-2-yl)butanedioate
- 90139-09-6
-
- Inchi： 1S/C9H16O5/c1-6(2)9(12,8(11)14-4)5-7(10)13-3/h6,12H,5H2,1-4H3/t9-/m0/s1
- InChI Key： OQIDMHZJNDYZLB-VIFPVBQESA-N
- SMILES： O[C@@](C(=O)OC)(CC(=O)OC)C(C)C
Computed Properties
- Exact Mass: 204.09977361g/mol
- Monoisotopic Mass: 204.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 223
- 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
- XLogP3: 0.5
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83000
- LogP: 0.10960
Butanedioic acid, 2-hydroxy-2-(1-methylethyl)-, dimethyl ester, (S)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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
90139-09-6 (Butanedioic acid, 2-hydroxy-2-(1-methylethyl)-, dimethyl ester, (S)-) Related Products
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