Cas no 83161-94-8 (3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-)
83161-94-8 structure
Product Name:3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-
CAS No:83161-94-8
MF:C20H22O4
MW:326.386286258698
CID:583410
PubChem ID:13337758
Update Time:2025-04-19
3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-
- 1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-dione
- CHEBI:175170
- 83161-94-8
- SCHEMBL11032227
- 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione, 9CI
- DTXSID80537344
- 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione
-
- Inchi： 1S/C20H22O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,23H,7-8,10-11,14H2,1H3
- InChI Key： NMQRUGZIKWUACB-UHFFFAOYSA-N
- SMILES： O=C(CC(CCC1C=CC=CC=1)=O)CCC1C=CC(=C(C=1)OC)O
Computed Properties
- Exact Mass: 326.15180918g/mol
- Monoisotopic Mass: 326.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 400
- 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: 2.6
- Topological Polar Surface Area: 63.6?2
3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
83161-94-8 (3,5-Heptanedione, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-) Related Products
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