Cas no 68937-11-1 ((2Z)-4-(nonadecyloxy)-4-oxobut-2-enoic acid)
68937-11-1 structure
Product Name:(2Z)-4-(nonadecyloxy)-4-oxobut-2-enoic acid
CAS No:68937-11-1
MF:C23H42O4
MW:382.577188014984
CID:1731242
PubChem ID:6437701
Update Time:2025-04-21
(2Z)-4-(nonadecyloxy)-4-oxobut-2-enoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2Z)-4-(nonadecyloxy)-4-oxobut-2-enoic acid
- (Z)-4-nonadecoxy-4-oxobut-2-enoic acid
- 958835-10-4
- 68937-11-1
- DTXSID801303502
- SCHEMBL8713655
- 1-Nonadecyl (2Z)-2-butenedioate
-
- Inchi： 1S/C23H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-23(26)20-19-22(24)25/h19-20H,2-18,21H2,1H3,(H,24,25)/b20-19-
- InChI Key： OKKSJLBORUGOFW-VXPUYCOJSA-N
- SMILES： O(C(/C=C\C(=O)O)=O)CCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 382.30846
- Monoisotopic Mass: 382.30831
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 21
- Complexity: 377
- 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: 9.1
- Topological Polar Surface Area: 63.6
Experimental Properties
- Density: 0.956
- Boiling Point: 495.8°C at 760 mmHg
- Flash Point: 155.9°C
- Refractive Index: 1.472
- PSA: 63.6
(2Z)-4-(nonadecyloxy)-4-oxobut-2-enoic acid Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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