Cas no 1114-73-4 (Nonanoic acid,2-cyano-, ethyl ester)
1114-73-4 structure
Product Name:Nonanoic acid,2-cyano-, ethyl ester
CAS No:1114-73-4
MF:C12H21NO2
MW:211.30064368248
CID:191799
PubChem ID:276533
Update Time:2025-04-19
Nonanoic acid,2-cyano-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nonanoic acid,2-cyano-, ethyl ester
- 2-Cyanononanoic acid ethyl ester
- ethyl 2-cyanononanoate
- 2-Cyan-nonansaeure-aethylester
- 2-Cyan-nonansaeure-ethylester
- 2-cyano-nonanoic acid ethyl ester
- NSC124634
- NSC-124634
- AKOS017549681
- 1114-73-4
- DTXSID40920551
-
- Inchi: 1S/C12H21NO2/c1-3-5-6-7-8-9-11(10-13)12(14)15-4-2/h11H,3-9H2,1-2H3
- InChI Key: RLFOJKJGCRFYMW-UHFFFAOYSA-N
- SMILES: O(CC)C(C(C#N)CCCCCCC)=O
Computed Properties
- Exact Mass: 211.15733
- Monoisotopic Mass: 211.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
- LogP: 3.04978
Nonanoic acid,2-cyano-, ethyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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