Cas no 88443-84-9 (Undecanoic acid, 11-cycloheptylidene-, methyl ester)
88443-84-9 structure
Product Name:Undecanoic acid, 11-cycloheptylidene-, methyl ester
CAS No:88443-84-9
MF:C19H34O2
MW:294.472066402435
CID:632563
PubChem ID:70477235
Update Time:2025-04-19
Undecanoic acid, 11-cycloheptylidene-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Undecanoic acid, 11-cycloheptylidene-, methyl ester
- methyl 11-cycloheptylideneundecanoate
- DTXSID20742091
- SCHEMBL10938684
- 88443-84-9
-
- Inchi： 1S/C19H34O2/c1-21-19(20)17-13-7-5-3-2-4-6-10-14-18-15-11-8-9-12-16-18/h14H,2-13,15-17H2,1H3
- InChI Key： AAAUTJZCKMJVBP-UHFFFAOYSA-N
- SMILES： O(C)C(CCCCCCCCC/C=C1\CCCCCC\1)=O
Computed Properties
- Exact Mass: 294.255880323g/mol
- Monoisotopic Mass: 294.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 11
- Complexity: 284
- 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: 6.7
- Topological Polar Surface Area: 26.3?2
Undecanoic acid, 11-cycloheptylidene-, methyl ester Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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