Cas no 38091-78-0 (Nonanoic acid,2-cyano-3-methyl-, ethyl ester)
38091-78-0 structure
Product Name:Nonanoic acid,2-cyano-3-methyl-, ethyl ester
CAS No:38091-78-0
MF:C13H23NO2
MW:225.32722401619
CID:321732
PubChem ID:348811
Update Time:2025-04-19
Nonanoic acid,2-cyano-3-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nonanoic acid,2-cyano-3-methyl-, ethyl ester
- ethyl 2-cyano-3-methylnonanoate
- NSC-408292
- DTXSID70325035
- NSC408292
- 38091-78-0
-
- Inchi： 1S/C13H23NO2/c1-4-6-7-8-9-11(3)12(10-14)13(15)16-5-2/h11-12H,4-9H2,1-3H3
- InChI Key： HDLPOJMSYAOUAH-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C#N)C(C)CCCCCC)=O
Computed Properties
- Exact Mass: 225.17299
- Monoisotopic Mass: 225.172878976g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
Nonanoic acid,2-cyano-3-methyl-, ethyl ester Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
38091-78-0 (Nonanoic acid,2-cyano-3-methyl-, ethyl ester) Related Products
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