Cas no 132180-14-4 (Propanedioic acid, methyl-, 1,1-dimethylethyl methyl ester)
132180-14-4 structure
Product Name:Propanedioic acid, methyl-, 1,1-dimethylethyl methyl ester
CAS No:132180-14-4
MF:C9H16O4
MW:188.220943450928
CID:1229971
PubChem ID:25198323
Update Time:2025-04-20
Propanedioic acid, methyl-, 1,1-dimethylethyl methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, methyl-, 1,1-dimethylethyl methyl ester
- 3-O-tert-butyl 1-O-methyl 2-methylpropanedioate
- SCHEMBL2167963
- DB-147837
- 1-tert-butyl 3-methyl 2-methylmalonate
- DTXSID50649049
- 132180-14-4
- 1-tert-butyl3-methyl2-methylmalonate
- JDQGMPGKDBIWOI-UHFFFAOYSA-N
- tert-Butyl methyl methylpropanedioate
-
- Inchi： 1S/C9H16O4/c1-6(7(10)12-5)8(11)13-9(2,3)4/h6H,1-5H3
- InChI Key： JDQGMPGKDBIWOI-UHFFFAOYSA-N
- SMILES： O(C(C(C(=O)OC)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 188.10485899g/mol
- Monoisotopic Mass: 188.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 202
- 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: 1.7
- Topological Polar Surface Area: 52.6?2
Propanedioic acid, methyl-, 1,1-dimethylethyl methyl ester Related Literature
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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
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
132180-14-4 (Propanedioic acid, methyl-, 1,1-dimethylethyl methyl ester) Related Products
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