Cas no 5413-09-2 (Hexanoic acid,3-methoxy-)
Hexanoic acid,3-methoxy- structure
Product Name:Hexanoic acid,3-methoxy-
Hexanoic acid,3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,3-methoxy-
- 3-methoxy-hexanoic acid; rac-methyl 3-methoxyhexanoic acid; AKOS006379060; NSC231380; 3-Methoxy-hexansaeure; AC1L7P1F;
- NSC-231380
- AKOS006379060
- SCHEMBL141330
- DTXSID30310720
- 3-methoxyhexanoic acid
- 5413-09-2
- NSC231380
-
- Inchi： 1S/C7H14O3/c1-3-4-6(10-2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
- InChI Key： NRBNOCSQNXBBGW-UHFFFAOYSA-N
- SMILES： O(C)C(CC(=O)O)CCC
Computed Properties
- Exact Mass: 146.09432
- Monoisotopic Mass: 146.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 101
- 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: 0.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.005
- Boiling Point: 226.2°Cat760mmHg
- Flash Point: 85.8°C
- Refractive Index: 1.432
- PSA: 46.53
- LogP: 1.27620
Hexanoic acid,3-methoxy- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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