Cas no 88662-76-4 (Carbonochloridic acid, 2,2-dimethylhexyl ester)
88662-76-4 structure
Product Name:Carbonochloridic acid, 2,2-dimethylhexyl ester
CAS No:88662-76-4
MF:C9H17ClO2
MW:192.683082342148
CID:625129
PubChem ID:20566484
Update Time:2025-04-19
Carbonochloridic acid, 2,2-dimethylhexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonochloridic acid, 2,2-dimethylhexyl ester
- 2,2-dimethylhexyl carbonochloridate
- DTXSID70608794
- 88662-76-4
- SCHEMBL11317329
-
- Inchi： 1S/C9H17ClO2/c1-4-5-6-9(2,3)7-12-8(10)11/h4-7H2,1-3H3
- InChI Key： XIVOIDDMOMIFEK-UHFFFAOYSA-N
- SMILES： ClC(=O)OCC(C)(C)CCCC
Computed Properties
- Exact Mass: 192.0917075g/mol
- Monoisotopic Mass: 192.0917075g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 144
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Carbonochloridic acid, 2,2-dimethylhexyl ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
88662-76-4 (Carbonochloridic acid, 2,2-dimethylhexyl ester) Related Products
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