Cas no 501665-75-4 (3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)-)
501665-75-4 structure
Product Name:3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)-
CAS No:501665-75-4
MF:C14H18O4
MW:250.290324687958
CID:365622
PubChem ID:15982730
Update Time:2025-04-19
3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)-
- 1-(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione
- SCHEMBL645127
- 501665-75-4
- DTXSID30580704
-
- Inchi： 1S/C14H18O4/c1-3-11(15)9-12(16)6-4-10-5-7-13(17)14(8-10)18-2/h5,7-8,17H,3-4,6,9H2,1-2H3
- InChI Key： NFOPGMGDNFJPET-UHFFFAOYSA-N
- SMILES： O=C(CC(CC)=O)CCC1C=CC(=C(C=1)OC)O
Computed Properties
- Exact Mass: 250.12054
- Monoisotopic Mass: 250.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 288
- 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: 1.1
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
501665-75-4 (3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)-) Related Products
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