Cas no 5453-20-3 ( )
structure
Product Name:
CAS No:5453-20-3
MF:C20H34O6
MW:370.480367183685
CID:941765
PubChem ID:227213
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- bis[3-(oxolan-2-yl)propyl] hexanedioate
- AC1L5FBX
- AC1Q670K
- adipic acid bis-(3-tetrahydro[2]furyl-propyl ester)
- Adipinsaeure-bis-(3-tetrahydro[2]furyl-propylester)
- AG-F-89463
- AR-1I0568
- bis[3-(tetrahydrofuran-2-yl)propyl] hexanedioate
- CTK5A1482
- NSC18557
- 5453-20-3
- hexanedioic acid bis-[3-(tetrahydro-furan-2-yl)-propyl] ester
- DTXSID90280773
- NSC-18557
-
-
- Inchi： 1S/C20H34O6/c21-19(25-15-5-9-17-7-3-13-23-17)11-1-2-12-20(22)26-16-6-10-18-8-4-14-24-18/h17-18H,1-16H2
- InChI Key： XTNYFARPUNLMRF-UHFFFAOYSA-N
- SMILES： O1CCCC1CCCOC(CCCCC(=O)OCCCC1CCCO1)=O
Computed Properties
- Exact Mass: 370.23562
- Monoisotopic Mass: 370.236
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 15
- Complexity: 373
- 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: 2.8
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- Density: 1.073
- Boiling Point: 468.2°C at 760 mmHg
- Flash Point: 201.3°C
- Refractive Index: 1.475
- PSA: 71.06
Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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