Cas no 26526-71-6 (Hexanoic acid, 2-cyano-5-methyl-, ethyl ester)
26526-71-6 structure
Product Name:Hexanoic acid, 2-cyano-5-methyl-, ethyl ester
CAS No:26526-71-6
MF:C10H17NO2
MW:183.24748301506
CID:291008
PubChem ID:276522
Update Time:2025-04-19
Hexanoic acid, 2-cyano-5-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-cyano-5-methyl-, ethyl ester
- ethyl 2-cyano-5-methylhexanoate
- 26526-71-6
- NSC-124622
- AKOS006278543
- NSC124622
- DTXSID30298610
-
- Inchi： 1S/C10H17NO2/c1-4-13-10(12)9(7-11)6-5-8(2)3/h8-9H,4-6H2,1-3H3
- InChI Key： NBLCLAYEJWJGJL-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C#N)CCC(C)C)=O
Computed Properties
- Exact Mass: 183.12601
- Monoisotopic Mass: 183.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 202
- 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
- XLogP3: 2.6
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- Density: 0.958
- Boiling Point: 223.1°Cat760mmHg
- Flash Point: 95.1°C
- Refractive Index: 1.435
- PSA: 50.09
Hexanoic acid, 2-cyano-5-methyl-, ethyl ester Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
26526-71-6 (Hexanoic acid, 2-cyano-5-methyl-, ethyl ester) Related Products
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