Cas no 32793-93-4 (2,5-Heptadienoic acid,methyl ester, (E,Z)- (8CI,9CI))
32793-93-4 structure
Product Name:2,5-Heptadienoic acid,methyl ester, (E,Z)- (8CI,9CI)
CAS No:32793-93-4
MF:C8H12O2
MW:140.179682731628
CID:309693
PubChem ID:131877834
Update Time:2025-04-19
2,5-Heptadienoic acid,methyl ester, (E,Z)- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Heptadienoic acid,methyl ester, (E,Z)- (8CI,9CI)
- Methyl (2E,5E)-hepta-2,5-dienoate
- W3XZ58HR9P
- DTXSID501301802
- 32793-93-4
- Methyl (2E,5Z)-2,5-heptadienoate
- 2,5-Heptadienoic acid, methyl ester, (2E,5Z)-
-
- Inchi： 1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-4,6-7H,5H2,1-2H3/b4-3-,7-6+
- InChI Key： AEKZTVSCWKESCZ-WWVFNRLHSA-N
- SMILES： O(C)C(/C=C/C/C=C\C)=O
Computed Properties
- Exact Mass: 140.08373
- Monoisotopic Mass: 140.08373
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 145
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 1.9
Experimental Properties
- Density: 0.926
- Boiling Point: 179.6°Cat760mmHg
- Flash Point: 69.1°C
- Refractive Index: 1.454
2,5-Heptadienoic acid,methyl ester, (E,Z)- (8CI,9CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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