Cas no 89296-77-5 (Propanoic acid, 2-methyl-, 1-iodoethyl ester)
89296-77-5 structure
Product Name:Propanoic acid, 2-methyl-, 1-iodoethyl ester
CAS No:89296-77-5
MF:C6H11IO2
MW:242.054814577103
CID:604966
PubChem ID:14633820
Update Time:2025-04-19
Propanoic acid, 2-methyl-, 1-iodoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-methyl-, 1-iodoethyl ester
- 1-iodoethyl 2-methylpropanoate
- 89296-77-5
- WWCCPBIJQCYIPE-UHFFFAOYSA-N
- 1-iodoethyl-2-methylpropanoate
- DTXSID30562409
- isobutyric acid 1-iodo-ethyl ester
- SCHEMBL1264920
-
- Inchi: 1S/C6H11IO2/c1-4(2)6(8)9-5(3)7/h4-5H,1-3H3
- InChI Key: WWCCPBIJQCYIPE-UHFFFAOYSA-N
- SMILES: IC(C)OC(C(C)C)=O
Computed Properties
- Exact Mass: 241.98038g/mol
- Monoisotopic Mass: 241.98038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- 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: 2.3
- Topological Polar Surface Area: 26.3?2
Propanoic acid, 2-methyl-, 1-iodoethyl ester Related Literature
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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