Cas no 51819-59-1 (Butanedioic acid,2-(dodecen-1-yl)-)
51819-59-1 structure
Product Name:Butanedioic acid,2-(dodecen-1-yl)-
CAS No:51819-59-1
MF:C16H28O4
MW:284.391125679016
CID:371960
Update Time:2024-01-28
Butanedioic acid,2-(dodecen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-(dodecen-1-yl)-
- 2-[(E)-dodec-1-enyl]butanedioic acid
- Butanedioicacid, dodecenyl- (9CI)
- Dodecenylsuccinicacid
- Succinic acid, dodecenyl- (7CI,8CI)
- T 746
- 2-dodec-1-enylbutanedioic acid
-
- Inchi： 1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20)/b12-11+
- InChI Key： QDCPNGVVOWVKJG-VAWYXSNFSA-N
- SMILES： C(O)(=O)C(/C=C/CCCCCCCCCC)CC(O)=O
Computed Properties
- Exact Mass: 284.19884
- Monoisotopic Mass: 284.198759
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 13
- Complexity: 297
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 74.6
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5.1
Experimental Properties
- Density: 1.03
- Boiling Point: 407.2°Cat760mmHg
- Flash Point: 214.2°C
- PSA: 74.6
Butanedioic acid,2-(dodecen-1-yl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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