Cas no 100842-25-9 (Phenol, 4-nonyl-,calcium salt (2:1))
100842-25-9 structure
Product Name:Phenol, 4-nonyl-,calcium salt (2:1)
CAS No:100842-25-9
MF:C30H46CaO2
MW:478.763048648834
CID:177391
PubChem ID:21989596
Update Time:2025-04-19
Phenol, 4-nonyl-,calcium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-nonyl-,calcium salt (2:1)
- calcium,4-nonylphenolate
- CALCIUMNONYLPHENATE
- Calcium p-nonylphenate
- Phenol, 4-nonyl-, calcium salt
- Calcium bis(4-nonylphenolate)
- 100842-25-9
- calcium;4-nonylphenolate
- SCHEMBL6064519
- Phenol, 4-nonyl-, calcium salt (2:1)
- DTXSID80905802
-
- Inchi： 1S/2C15H24O.Ca/c2*1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;/h2*10-13,16H,2-9H2,1H3;/q;;+2/p-2
- InChI Key： JOTIGIPYKRJFSC-UHFFFAOYSA-L
- SMILES： [Ca+2].[O-]C1C=CC(=CC=1)CCCCCCCCC.[O-]C1C=CC(=CC=1)CCCCCCCCC
Computed Properties
- Exact Mass: 478.312372g/mol
- Monoisotopic Mass: 478.312372g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 33
- Rotatable Bond Count: 16
- Complexity: 148
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 478.8g/mol
- Topological Polar Surface Area: 46.1?2
Phenol, 4-nonyl-,calcium salt (2:1) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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