Cas no 70289-08-6 (3-Heptanone,4-(3,4-dimethoxyphenyl)-)
70289-08-6 structure
Product Name:3-Heptanone,4-(3,4-dimethoxyphenyl)-
CAS No:70289-08-6
MF:C15H22O3
MW:250.333384990692
CID:572186
PubChem ID:144395
Update Time:2025-04-19
3-Heptanone,4-(3,4-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Heptanone,4-(3,4-dimethoxyphenyl)-
- 4-(3,4-dimethoxyphenyl)heptan-3-one
- 70289-08-6
- DTXSID00990497
- 3-Heptanone, 4-(3,4-dimethoxyphenyl)-
- 3-Heptanone, 4-(3,4-dimethoxyphenyl)-,
-
- Inchi： 1S/C15H22O3/c1-5-7-12(13(16)6-2)11-8-9-14(17-3)15(10-11)18-4/h8-10,12H,5-7H2,1-4H3
- InChI Key： PDKDGRVPHUMZJC-UHFFFAOYSA-N
- SMILES： O=C(CC)C(C1C=CC(=C(C=1)OC)OC)CCC
Computed Properties
- Exact Mass: 250.15696
- Monoisotopic Mass: 250.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 252
- 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: 35.5?2
Experimental Properties
- PSA: 35.53
3-Heptanone,4-(3,4-dimethoxyphenyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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