Cas no 62512-66-7 (Hexanedioic acid, 2,5-dicyano-, dimethyl ester)
62512-66-7 structure
Product Name:Hexanedioic acid, 2,5-dicyano-, dimethyl ester
CAS No:62512-66-7
MF:C10H12N2O4
MW:224.213282585144
CID:442161
PubChem ID:21446518
Update Time:2025-04-19
Hexanedioic acid, 2,5-dicyano-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid, 2,5-dicyano-, dimethyl ester
- dimethyl 2,5-dicyanohexanedioate
- 62512-66-7
- DTXSID20614022
- SCHEMBL11670845
-
- Inchi： 1S/C10H12N2O4/c1-15-9(13)7(5-11)3-4-8(6-12)10(14)16-2/h7-8H,3-4H2,1-2H3
- InChI Key： IWDPKMYUEKEKPB-UHFFFAOYSA-N
- SMILES： O(C)C(C(C#N)CCC(C#N)C(=O)OC)=O
Computed Properties
- Exact Mass: 224.07976
- Monoisotopic Mass: 224.07970687g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 324
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 100.18
Hexanedioic acid, 2,5-dicyano-, dimethyl ester Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
62512-66-7 (Hexanedioic acid, 2,5-dicyano-, dimethyl ester) Related Products
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