Cas no 22676-00-2 (1,3-Propanediol,1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)-)
22676-00-2 structure
Product Name:1,3-Propanediol,1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)-
CAS No:22676-00-2
MF:C18H22O6
MW:334.363686084747
CID:280146
Update Time:2024-01-27
1,3-Propanediol,1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Propanediol,1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)-
- 1,3-Propanediol, 1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)-
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- Inchi: 1S/C18H22O6/c1-21-13-5-7-14(8-6-13)24-17(11-19)18(20)12-4-9-15(22-2)16(10-12)23-3/h4-10,17-20H,11H2,1-3H3
- InChI Key: VBMZTOFKHVYTIS-UHFFFAOYSA-N
- SMILES: C(C1=CC=C(OC)C(OC)=C1)(O)C(OC1=CC=C(OC)C=C1)CO
Computed Properties
- Exact Mass: 334.14166
- Monoisotopic Mass: 334.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 344
- 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
- Topological Polar Surface Area: 77.4A^2
Experimental Properties
- Density: 1.214
- Boiling Point: 530.7°Cat760mmHg
- Flash Point: 274.8°C
- Refractive Index: 1.565
- PSA: 77.38
- pka: 13.03±0.20(Predicted)
1,3-Propanediol,1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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