Cas no 62702-44-7 (Hexanediol disalicylate)
Hexanediol disalicylate structure
Product Name:Hexanediol disalicylate
CAS No:62702-44-7
MF:C20H22O6
MW:358.385086536407
CID:434706
Update Time:2023-08-03
Hexanediol disalicylate Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-hydroxy-, 1,6-hexanediyl ester
- hexanediol disalicylate
- ORT515V9E1
- 1,6-Hexylene disalicylate
- Hexanediol disalicylate [INCI]
- 1,6-Hexanediol bis(2-hydroxybenzoate)
- Q27285805
- Benzoic acid, 2-hydroxy-, 1,1'-(1,6-hexanediyl) ester
- Hexanediol disalicylate
-
- Inchi： 1S/C20H22O6/c21-17-11-5-3-9-15(17)19(23)25-13-7-1-2-8-14-26-20(24)16-10-4-6-12-18(16)22/h3-6,9-12,21-22H,1-2,7-8,13-14H2
- InChI Key： BOPXLSMVXSTANB-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1O)=O)CCCCCCOC(C1C=CC=CC=1O)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 11
- Complexity: 398
- XLogP3: 5.7
- Topological Polar Surface Area: 93.1
Hexanediol disalicylate Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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