Cas no 3118-36-3 (1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(heptan-1-one))
3118-36-3 structure
Product Name:1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(heptan-1-one)
CAS No:3118-36-3
MF:C20H30O5
MW:350.449206829071
CID:2821554
PubChem ID:53874057
Update Time:2025-04-21
1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(heptan-1-one) Chemical and Physical Properties
Names and Identifiers
-
- DTXCID90658059
- SCHEMBL9752843
- HY-156289
- CS-0898557
- 3118-36-3
- 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(heptan-1-one)
- 1,1'-(2,4,6-trihydroxy-1,3-phenylene)bis-1-heptanone
- 1-(3-HEPTANOYL-2,4,6-TRIHYDROXYPHENYL)HEPTAN-1-ONE
- Anti-MRSA agent 8
- DA-61127
- DTXSID10707311
-
- Inchi： 1S/C20H30O5/c1-3-5-7-9-11-14(21)18-16(23)13-17(24)19(20(18)25)15(22)12-10-8-6-4-2/h13,23-25H,3-12H2,1-2H3
- InChI Key： HFDHXVRYZWJDOP-UHFFFAOYSA-N
- SMILES： OC1C(=C(C=C(C=1C(CCCCCC)=O)O)O)C(CCCCCC)=O
Computed Properties
- Exact Mass: 350.20932405g/mol
- Monoisotopic Mass: 350.20932405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 12
- Complexity: 373
- 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
- XLogP3: 6.2
- Topological Polar Surface Area: 94.8?2
1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(heptan-1-one) Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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