Cas no 94135-94-1 (2-Octenoic acid,2-propen-1-yl ester)
94135-94-1 structure
Product Name:2-Octenoic acid,2-propen-1-yl ester
CAS No:94135-94-1
MF:C11H18O2
MW:182.259423732758
CID:806493
PubChem ID:6366464
Update Time:2025-04-19
2-Octenoic acid,2-propen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Octenoic acid,2-propen-1-yl ester
- allyl oct-2-enoate
- EINECS 302-966-1
- 94135-94-1
-
- Inchi： 1S/C11H18O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4,8-9H,2-3,5-7,10H2,1H3/b9-8+
- InChI Key： ZXSSSENGZAYAMP-CMDGGOBGSA-N
- SMILES： O(CC=C)C(/C=C/CCCCC)=O
Computed Properties
- Exact Mass: 182.130679813g/mol
- Monoisotopic Mass: 182.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 171
- 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: 3.6
- Topological Polar Surface Area: 26.3?2
2-Octenoic acid,2-propen-1-yl ester Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
94135-94-1 (2-Octenoic acid,2-propen-1-yl ester) Related Products
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- 7367-82-0(trans-2-Octenoic acid ethyl ester)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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