Cas no 79173-14-1 (1,3,5-Benzenetriol, mixt. with 1,3,5-trimethoxybenzene)
79173-14-1 structure
Product Name:1,3,5-Benzenetriol, mixt. with 1,3,5-trimethoxybenzene
CAS No:79173-14-1
MF:C15H18O6
MW:294.299825191498
CID:564833
Update Time:2023-08-02
1,3,5-Benzenetriol, mixt. with 1,3,5-trimethoxybenzene Chemical and Physical Properties
Names and Identifiers
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- Spasfon
- 1,3,5-Benzenetriol, mixt. with 1,3,5-trimethoxybenzene
- Benzene, 1,3,5-trimethoxy-, mixt. with 1,3,5-benzenetriol
- Benzene-1,3,5-triol--1,3,5-trimethoxybenzene (1/1)
- 1,3,5-Benzenetriol, 1,3,5-trimethoxybenzene drug combination
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- Inchi： 1S/C9H12O3.C6H6O3/c1-10-7-4-8(11-2)6-9(5-7)12-3;7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H3;1-3,7-9H
- InChI Key： FJZONVARCOPCNF-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=C(C=1)OC)OC.OC1C=C(C=C(C=1)O)O
Computed Properties
- Exact Mass: 294.110338
- Monoisotopic Mass: 294.110338
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 155
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 88.4
Experimental Properties
- Boiling Point: 257°C at 760 mmHg
- Flash Point: 85.6°C
1,3,5-Benzenetriol, mixt. with 1,3,5-trimethoxybenzene Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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