Cas no 7356-79-8 (Ethanedione,(3,4-dimethoxyphenyl)(4-hydroxy-3-methoxyphenyl)- (9CI))
7356-79-8 structure
Product Name:Ethanedione,(3,4-dimethoxyphenyl)(4-hydroxy-3-methoxyphenyl)- (9CI)
CAS No:7356-79-8
MF:C17H16O6
MW:316.305345535278
CID:567470
PubChem ID:229251
Update Time:2025-04-19
Ethanedione,(3,4-dimethoxyphenyl)(4-hydroxy-3-methoxyphenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ethanedione,(3,4-dimethoxyphenyl)(4-hydroxy-3-methoxyphenyl)- (9CI)
- 1-(3,4-dimethoxyphenyl)-2-(4-hydroxy-3-methoxy-phenyl)ethane-1,2-dione
- 1-(3,4-dimethoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethane-1,2-dione
- HMS3093I16
- SMR001548360
- CHEMBL1889168
- NSC22695
- 7356-79-8
- MLS002638898
- NSC-22695
- DTXSID90281725
-
- Inchi： 1S/C17H16O6/c1-21-13-7-5-11(9-15(13)23-3)17(20)16(19)10-4-6-12(18)14(8-10)22-2/h4-9,18H,1-3H3
- InChI Key： UKAOQGQKJJRFOX-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C=CC(C(C(C2C=CC(=C(C=2)OC)O)=O)=O)=C1)OC
Computed Properties
- Exact Mass: 316.09500
- Monoisotopic Mass: 316.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 6
- Complexity: 423
- 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: 2.5
- Topological Polar Surface Area: 82.1?2
Experimental Properties
- Density: 1.261
- Boiling Point: 527.7°C at 760 mmHg
- Flash Point: 194.3°C
- Refractive Index: 1.577
- PSA: 82.06000
- LogP: 2.48360
Ethanedione,(3,4-dimethoxyphenyl)(4-hydroxy-3-methoxyphenyl)- (9CI) Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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