Cas no 62381-06-0 (2-Butenedioic acid, 2,3-dicyano-, diethyl ester)
62381-06-0 structure
Product Name:2-Butenedioic acid, 2,3-dicyano-, diethyl ester
CAS No:62381-06-0
MF:C10H10N2O4
MW:222.197402477264
CID:447009
PubChem ID:5324722
Update Time:2025-04-19
2-Butenedioic acid, 2,3-dicyano-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid, 2,3-dicyano-, diethyl ester
- 2-Butenedioic acid, 2,3-dicyano-, 1,4-diethyl ester, (2E)-
- diethyl (E)-2,3-dicyanobut-2-enedioate
- 35234-88-9
- 1,4-DIETHYL (2E)-2,3-DICYANOBUT-2-ENEDIOATE
- NS00055583
- EINECS 252-453-0
- diethyl (2E)-2,3-dicyanobut-2-ene-1,4-dioate
- InChI=1/C10H10N2O4/c1-3-15-9(13)7(5-11)8(6-12)10(14)16-4-2/h3-4H2,1-2H3/b8-7
- Diethyl 2,3-dicyanofumarate
- SCHEMBL1754710
- B9V4T4GNN6
- 1,4-Diethyl (2E)-2,3-dicyano-2-butenedioate
- DIETHYL DICYANOFUMARATE, 97
- DTXSID301262232
- 2-Butenedioic acid, 2,3-dicyano-, 1,4-diethyl ester
- AKOS001025555
- 1,4-Diethyl 2,3-dicyano-2-butenedioate
- 62381-06-0
- DIETHYL DICYANOFUMARATE
-
- Inchi： 1S/C10H10N2O4/c1-3-15-9(13)7(5-11)8(6-12)10(14)16-4-2/h3-4H2,1-2H3/b8-7+
- InChI Key： WOLPMKLWSJWZNO-BQYQJAHWSA-N
- SMILES： O(C(/C(/C#N)=C(\C#N)/C(=O)OCC)=O)CC
Computed Properties
- Exact Mass: 222.0641
- Monoisotopic Mass: 222.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 379
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 100.18
2-Butenedioic acid, 2,3-dicyano-, diethyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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