Cas no 62619-62-9 (1,4,7-Heptanetrione, 1,7-bis(4-methoxyphenyl)-)
62619-62-9 structure
Product Name:1,4,7-Heptanetrione, 1,7-bis(4-methoxyphenyl)-
CAS No:62619-62-9
MF:C21H22O5
MW:354.396386623383
CID:437797
PubChem ID:71384499
Update Time:2025-04-19
1,4,7-Heptanetrione, 1,7-bis(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7-Heptanetrione, 1,7-bis(4-methoxyphenyl)-
- 1,7-bis(4-methoxyphenyl)heptane-1,4,7-trione
- DTXSID10806752
- 62619-62-9
-
- Inchi： 1S/C21H22O5/c1-25-18-9-3-15(4-10-18)20(23)13-7-17(22)8-14-21(24)16-5-11-19(26-2)12-6-16/h3-6,9-12H,7-8,13-14H2,1-2H3
- InChI Key： JZXKDRKFFSSKBZ-UHFFFAOYSA-N
- SMILES： O=C(CCC(C1C=CC(=CC=1)OC)=O)CCC(C1C=CC(=CC=1)OC)=O
Computed Properties
- Exact Mass: 354.14676
- Monoisotopic Mass: 354.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 10
- Complexity: 429
- 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: 2.4
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
1,4,7-Heptanetrione, 1,7-bis(4-methoxyphenyl)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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
62619-62-9 (1,4,7-Heptanetrione, 1,7-bis(4-methoxyphenyl)-) Related Products
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