Cas no 53542-79-3 (1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one)
53542-79-3 structure
Product Name:1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one
CAS No:53542-79-3
MF:C11H14O3
MW:194.227063655853
CID:938728
PubChem ID:643398
Update Time:2025-04-19
1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one
- 1-(2,6-Dihydroxy-3-propylphenyl)ethanone
- DA-20090
- InChI=1/C11H14O3/c1-3-4-8-5-6-9(13)10(7(2)12)11(8)14/h5-6,13-14H,3-4H2,1-2H
- 53542-79-3
- BDBM50455577
- SCHEMBL9739914
- ethanone, 1-(2,6-dihydroxy-3-propylphenyl)-
- DTXSID70349170
- CHEMBL3274344
- JNM
-
- Inchi： 1S/C11H14O3/c1-3-4-8-5-6-9(13)10(7(2)12)11(8)14/h5-6,13-14H,3-4H2,1-2H3
- InChI Key： NMAPMZGVYBPUKX-UHFFFAOYSA-N
- SMILES： OC1C(C(C)=O)=C(C=CC=1CCC)O
Computed Properties
- Exact Mass: 194.094294304g/mol
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 203
- 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: 2.8
- Topological Polar Surface Area: 57.5?2
1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
53542-79-3 (1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one) Related Products
- 2295-58-1(Flopropione)
- 1470-79-7(2,4,4'-Trihydroxybenzophenone)
- 2887-61-8(2'-Hydroxybutyrophenone)
- 610-99-1(2'-Hydroxypropiophenone)
- 3516-95-8(2’-Hydroxy-3-phenylpropiophenone)
- 89-84-9(2',4'-Dihydroxyacetophenone)
- 699-83-2(2',6'-Dihydroxyacetophenone)
- 1450-72-2(2'-Hydroxy-5'-methylacetophenone)
- 1634-34-0(p-Orcacetophenone)
- 131-56-6(2,4-Dihydroxybenzophenone)
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