Cas no 56703-12-9 (Octanoic acid, 8-iodo-, ethyl ester)
56703-12-9 structure
Product Name:Octanoic acid, 8-iodo-, ethyl ester
CAS No:56703-12-9
MF:C10H19IO2
MW:298.161135911942
CID:348079
PubChem ID:15024840
Update Time:2025-04-19
Octanoic acid, 8-iodo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 8-iodo-, ethyl ester
- ethyl 8-iodooctanoate
- 8-Iodo-octanoic acid ethyl ester
- 56703-12-9
- A1-05704
- 8-Iodooctanoic acid ethyl ester
- HYNNFHYYEVPUMG-UHFFFAOYSA-N
- SCHEMBL3382005
- DTXSID00567123
- ethyl-8-iodooctanoate
-
- Inchi： 1S/C10H19IO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9H2,1H3
- InChI Key： HYNNFHYYEVPUMG-UHFFFAOYSA-N
- SMILES： ICCCCCCCC(=O)OCC
Computed Properties
- Exact Mass: 298.04257
- Monoisotopic Mass: 298.04298g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Octanoic acid, 8-iodo-, ethyl ester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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