Cas no 88606-74-0 (Octanoic acid, 2,3-dichloropropyl ester)
88606-74-0 structure
Product Name:Octanoic acid, 2,3-dichloropropyl ester
CAS No:88606-74-0
MF:C11H20Cl2O2
MW:255.181302070618
CID:626852
PubChem ID:525112
Update Time:2025-04-19
Octanoic acid, 2,3-dichloropropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 2,3-dichloropropyl ester
- 2,3-dichloropropyl octanoate
- 88606-74-0
- VWAHGSDENHZHOK-UHFFFAOYSA-N
- DTXSID60335406
- 1-Propanol, 2,3-dichloro, octanoate
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- Inchi： 1S/C11H20Cl2O2/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10H,2-9H2,1H3
- InChI Key： VWAHGSDENHZHOK-UHFFFAOYSA-N
- SMILES： ClC(CCl)COC(CCCCCCC)=O
Computed Properties
- Exact Mass: 254.0840353g/mol
- Monoisotopic Mass: 254.0840353g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 163
- 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: 4.4
- Topological Polar Surface Area: 26.3?2
Octanoic acid, 2,3-dichloropropyl ester Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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