Cas no 27318-87-2 (1,2-Propanediol,3-(3,5-dimethoxyphenoxy)-)
27318-87-2 structure
Product Name:1,2-Propanediol,3-(3,5-dimethoxyphenoxy)-
CAS No:27318-87-2
MF:C11H16O5
MW:228.241744041443
CID:262346
PubChem ID:213933
Update Time:2025-04-19
1,2-Propanediol,3-(3,5-dimethoxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,3-(3,5-dimethoxyphenoxy)-
- 3-(3,5-dimethoxyphenoxy)propane-1,2-diol
- AKOS021168460
- 27318-87-2
- BRN 2332148
- 1,2-Propanediol, 3-(3,5-dimethoxyphenoxy)-
- 4-06-00-07366 (Beilstein Handbook Reference)
- 3-(3,5-Dimethoxyphenoxy)-1,2-propanediol
- DTXSID80950039
-
- Inchi： 1S/C11H16O5/c1-14-9-3-10(15-2)5-11(4-9)16-7-8(13)6-12/h3-5,8,12-13H,6-7H2,1-2H3
- InChI Key： ZSCBAJZMNJWRTI-UHFFFAOYSA-N
- SMILES： O(C1C=C(C=C(C=1)OC)OC)CC(CO)O
Computed Properties
- Exact Mass: 228.09978
- Monoisotopic Mass: 228.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 175
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 68.2?2
Experimental Properties
- Density: 1.202
- Boiling Point: 416.6°Cat760mmHg
- Flash Point: 205.8°C
- Refractive Index: 1.529
- PSA: 68.15
1,2-Propanediol,3-(3,5-dimethoxyphenoxy)- Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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