Cas no 405260-16-4 (1,1'-(4,6-Dihydroxy-1,3-phenylene)di(butane-1,3-dione))
405260-16-4 structure
Product Name:1,1'-(4,6-Dihydroxy-1,3-phenylene)di(butane-1,3-dione)
CAS No:405260-16-4
MF:C14H14O6
MW:278.257364749908
CID:2826381
PubChem ID:71362092
Update Time:2025-04-21
1,1'-(4,6-Dihydroxy-1,3-phenylene)di(butane-1,3-dione) Chemical and Physical Properties
Names and Identifiers
-
- 4,6-bis(1,3-dioxobutyl)resorcinol
- 405260-16-4
- 1,1'-(4,6-Dihydroxy-1,3-phenylene)di(butane-1,3-dione)
- DTXCID00736473
- DTXSID10785730
-
- Inchi： 1S/C14H14O6/c1-7(15)3-11(17)9-5-10(12(18)4-8(2)16)14(20)6-13(9)19/h5-6,19-20H,3-4H2,1-2H3
- InChI Key： BBNQMBJIERXDCY-UHFFFAOYSA-N
- SMILES： OC1C=C(C(C(CC(C)=O)=O)=CC=1C(CC(C)=O)=O)O
Computed Properties
- Exact Mass: 278.07903816g/mol
- Monoisotopic Mass: 278.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 389
- 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: 1.4
- Topological Polar Surface Area: 109?2
1,1'-(4,6-Dihydroxy-1,3-phenylene)di(butane-1,3-dione) 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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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