Cas no 76904-21-7 (Dimethyl 2,2,3-trimethylbutanedioate)
76904-21-7 structure
Product Name:Dimethyl 2,2,3-trimethylbutanedioate
CAS No:76904-21-7
MF:C9H16O4
MW:188.220943450928
CID:2801633
PubChem ID:12602170
Update Time:2025-04-21
Dimethyl 2,2,3-trimethylbutanedioate Chemical and Physical Properties
Names and Identifiers
-
- DTXSID00504038
- Dimethyl 2,2,3-trimethylbutanedioate
- 76904-21-7
- SCHEMBL1425289
-
- Inchi： 1S/C9H16O4/c1-6(7(10)12-4)9(2,3)8(11)13-5/h6H,1-5H3
- InChI Key： GVYYWLWCZVEEDI-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)(C)C(C(=O)OC)C)=O
Computed Properties
- Exact Mass: 188.10485899Da
- Monoisotopic Mass: 188.10485899Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 208
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 52.6?2
Dimethyl 2,2,3-trimethylbutanedioate Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
76904-21-7 (Dimethyl 2,2,3-trimethylbutanedioate) Related Products
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