Cas no 91998-04-8 (3-Heptanone, 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-)
91998-04-8 structure
Product Name:3-Heptanone, 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-
CAS No:91998-04-8
MF:C23H30O6
MW:402.480707645416
CID:747844
PubChem ID:10905497
Update Time:2025-04-19
3-Heptanone, 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Heptanone, 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-
- 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyheptan-3-one
- DTXSID80447873
- 91998-04-8
- CHEMBL357618
-
- Inchi： 1S/C23H30O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h7-8,11-14,18,24H,5-6,9-10,15H2,1-4H3
- InChI Key： NDVBVCMOGVYWMV-UHFFFAOYSA-N
- SMILES： OC(CC(CCC1C=CC(=C(C=1)OC)OC)=O)CCC1C=CC(=C(C=1)OC)OC
Computed Properties
- Exact Mass: 402.20423867g/mol
- Monoisotopic Mass: 402.20423867g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 12
- Complexity: 470
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 74.2?2
3-Heptanone, 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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