Cas no 94-51-9 (1-Propanol,3,3'-oxybis-, 1,1'-dibenzoate)
94-51-9 structure
Product Name:1-Propanol,3,3'-oxybis-, 1,1'-dibenzoate
CAS No:94-51-9
MF:C20H22O5
MW:342.385686397552
CID:804586
Update Time:2026-04-29
1-Propanol,3,3'-oxybis-, 1,1'-dibenzoate Chemical and Physical Properties
Names and Identifiers
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- 1-Propanol,3,3'-oxybis-, 1,1'-dibenzoate
- 1-Propanol, 3,3\'-oxybis-, 1,1\'-dibenzoate
- 5-NITROBENZIMIDAZOLE
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- Inchi： InChI=1S/C20H22O5/c21-19(17-9-3-1-4-10-17)24-15-7-13-23-14-8-16-25-20(22)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
- InChI Key： BYQDGAVOOHIJQS-UHFFFAOYSA-N
- SMILES： C1=CC=C(C=C1)C(=O)OCCCOCCCOC(=O)C2=CC=CC=C2
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 12
- Complexity: 338
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.3
Experimental Properties
- Density: 1.1636 (rough estimate)
- Boiling Point: 437.84°C (rough estimate)
- Refractive Index: 1.5400 (estimate)
1-Propanol,3,3'-oxybis-, 1,1'-dibenzoate Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
94-51-9 (1-Propanol,3,3'-oxybis-, 1,1'-dibenzoate) Related Products
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