Cas no 100214-87-7 (PROPYLENE GLYCOL BEHENATE)
PROPYLENE GLYCOL BEHENATE structure
Product Name:PROPYLENE GLYCOL BEHENATE
CAS No:100214-87-7
MF:C25H50O3
MW:398.662708759308
CID:124007
Update Time:2025-04-18
PROPYLENE GLYCOL BEHENATE Chemical and Physical Properties
Names and Identifiers
-
- PROPYLENE GLYCOL BEHENATE
- docosanoic acid,propane-1,2-diol
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- Inchi： 1S/C25H50O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)28-23-24(2)26/h24,26H,3-23H2,1-2H3
- InChI Key： VDJAHYCCXYNHDE-UHFFFAOYSA-N
- SMILES： C(OC(=O)CCCCCCCCCCCCCCCCCCCCC)C(O)C
Computed Properties
- Exact Mass: 416.38656g/mol
- Monoisotopic Mass: 416.38656g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 21
- Complexity: 271
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 416.7g/mol
- Topological Polar Surface Area: 77.8?2
PROPYLENE GLYCOL BEHENATE Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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