Cas no 61212-00-8 (1,3,6-Trioxocane, 2-methyl-2-phenyl-)
61212-00-8 structure
Product Name:1,3,6-Trioxocane, 2-methyl-2-phenyl-
CAS No:61212-00-8
MF:C12H16O3
MW:208.253643989563
CID:488165
PubChem ID:11031041
Update Time:2025-04-19
1,3,6-Trioxocane, 2-methyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,6-Trioxocane, 2-methyl-2-phenyl-
- 2-methyl-2-phenyl-1,3,6-trioxocane
- DTXSID40452589
- 61212-00-8
-
- Inchi： 1S/C12H16O3/c1-12(11-5-3-2-4-6-11)14-9-7-13-8-10-15-12/h2-6H,7-10H2,1H3
- InChI Key： KOJFHLCAFWAURT-UHFFFAOYSA-N
- SMILES： O1CCOCCOC1(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 179
- 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: 1.4
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
1,3,6-Trioxocane, 2-methyl-2-phenyl- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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