Cas no 94247-33-3 (Calcium,(2-ethylhexanoato-O)(isononanoato-O)- (9CI))
94247-33-3 structure
Product Name:Calcium,(2-ethylhexanoato-O)(isononanoato-O)- (9CI)
CAS No:94247-33-3
MF:C17H32CaO4
MW:340.511585235596
CID:815416
PubChem ID:71300530
Update Time:2025-04-19
Calcium,(2-ethylhexanoato-O)(isononanoato-O)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Calcium,(2-ethylhexanoato-O)(isononanoato-O)- (9CI)
- calcium,2-ethylhexanoate,7-methyloctanoate
- EINECS 304-211-1
- (2-Ethylhexanoato-O)(isononanoato-O)calcium
- 94247-33-3
-
- Inchi： 1S/C9H18O2.C8H16O2.Ca/c1-8(2)6-4-3-5-7-9(10)11;1-3-5-6-7(4-2)8(9)10;/h8H,3-7H2,1-2H3,(H,10,11);7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
- InChI Key： PXPRSNOGFXQYIW-UHFFFAOYSA-L
- SMILES： [Ca+2].[O-]C(C(CC)CCCC)=O.[O-]C(CCCCCC(C)C)=O
Computed Properties
- Exact Mass: 340.1926503g/mol
- Monoisotopic Mass: 340.1926503g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 13
- Complexity: 267
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.3?2
Calcium,(2-ethylhexanoato-O)(isononanoato-O)- (9CI) Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
94247-33-3 (Calcium,(2-ethylhexanoato-O)(isononanoato-O)- (9CI)) Related Products
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
- 619-81-8(Cis-1,2-Cyclohexanedicarboxylic Acid)
- 97-61-0(2-Methyl-pentanoic Acid)
- 1703-58-8(1,2,3,4-Butanetetracarboxylic acid)
- 1188-02-9(2-Methylheptanoic acid)
- 1460-16-8(Cycloheptanecarboxylic acid)
- 681-57-2(2,2-Dimethylglutaric acid)
- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
- 99-66-1(Valproic acid)
- 1076-97-7(1,4-Cyclohexanedicarboxylic Acid)
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