Cas no 26879-19-6 (1-Cyclopropene-3-14C-1-heptanoic acid, 2-octyl-, methyl ester(8CI))
26879-19-6 structure
Product Name:1-Cyclopropene-3-14C-1-heptanoic acid, 2-octyl-, methyl ester(8CI)
CAS No:26879-19-6
MF:C19H34O2
MW:296.464607715607
CID:290321
PubChem ID:24192371
Update Time:2025-04-19
1-Cyclopropene-3-14C-1-heptanoic acid, 2-octyl-, methyl ester(8CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclopropene-3-14C-1-heptanoic acid, 2-octyl-, methyl ester(8CI)
- methyl 7-(2-octylcyclopropen-1-yl)heptanoate
- NSC138556
- NSC-138556
- Methyl 7-[2-octyl(3-~14~C)cycloprop-1-en-1-yl]heptanoate
- DTXSID90638174
- 26879-19-6
-
- Inchi： 1S/C19H34O2/c1-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21-2/h3-16H2,1-2H3/i16+2
- InChI Key： GYLXZHKHPYLEIF-VPMSBSONSA-N
- SMILES： O(C)C(CCCCCCC1[14CH2]C=1CCCCCCCC)=O
Computed Properties
- Exact Mass: 296.25900
- Monoisotopic Mass: 294.256
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 318
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.922
- Boiling Point: 369.8°Cat760mmHg
- Flash Point: 99.4°C
- Refractive Index: 1.472
- PSA: 26.30000
- LogP: 5.95090
1-Cyclopropene-3-14C-1-heptanoic acid, 2-octyl-, methyl ester(8CI) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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