Cas no 41820-27-3 (Dimethyl trans-3-Hexenedioate)
Dimethyl trans-3-Hexenedioate structure
Product Name:Dimethyl trans-3-Hexenedioate
CAS No:41820-27-3
MF:C8H12O4
MW:172.178483009338
CID:324316
Update Time:2023-08-02
Dimethyl trans-3-Hexenedioate Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexenedioic acid, dimethyl ester
- Dimethyl trans-3-Hexenedioate
- trans-3-Hexenedioic Acid Dimethyl Ester
- (E)-dimethyl hex-3-enedioate
- 3-Hexenedioic acid, dimethyl ester, (3E)-
- CPSQPCGPYWRIPB-ONEGZZNKSA-N
- Dimethyl trans-2-Butene-1,4-dicarboxylate
- Q63392394
- TRANS-2-BUTENE-1,4-DICARBOXYLIC ACID DIMETHYL ESTER
- trans dimethyl hex-3-endioate
- Dimethyl (3E)-3-hexenedioate
- (E)-3-Hexenedioic acid dimethyl
- 3-Hexenedioic acid dimethyl ester
- NSC222824
- VZ369
-
- Inchi： 1S/C8H12O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-4H,5-6H2,1-2H3/b4-3+
- InChI Key： CPSQPCGPYWRIPB-ONEGZZNKSA-N
- SMILES： O(C)C(C/C=C/CC(=O)OC)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 164
- XLogP3: 0.5
- Topological Polar Surface Area: 52.6
Dimethyl trans-3-Hexenedioate Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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