Cas no 61920-02-3 (Phenol, 3-(2,4,5-trimethyl-1,3-dioxolan-2-yl)-)
61920-02-3 structure
Product Name:Phenol, 3-(2,4,5-trimethyl-1,3-dioxolan-2-yl)-
CAS No:61920-02-3
MF:C12H16O3
MW:208.253643989563
CID:463135
PubChem ID:4658364
Update Time:2025-04-19
Phenol, 3-(2,4,5-trimethyl-1,3-dioxolan-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-(2,4,5-trimethyl-1,3-dioxolan-2-yl)-
- 3-(2,4,5-trimethyl-1,3-dioxolan-2-yl)phenol
- DTXSID60405315
- 61920-02-3
-
- Inchi： 1S/C12H16O3/c1-8-9(2)15-12(3,14-8)10-5-4-6-11(13)7-10/h4-9,13H,1-3H3
- InChI Key： ANNCTEFTJPKYBJ-UHFFFAOYSA-N
- SMILES： O1C(C)C(C)OC1(C)C1C=CC=C(C=1)O
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
Phenol, 3-(2,4,5-trimethyl-1,3-dioxolan-2-yl)- Related Literature
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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