Cas no 5446-98-0 ( )
structure
Product Name:
CAS No:5446-98-0
MF:C19H20O6
MW:344.358506202698
CID:941441
PubChem ID:226360
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-[4-[(4-acetyl-2-methoxyphenoxy)methoxy]-3-methoxyphenyl]ethanone
- 1,1'-{methanediylbis[oxy(3-methoxybenzene-4,1-diyl)]}diethanone
- AC1L5EPL
- AC1Q5GJQ
- AR-1B4256
- CTK5A1169
- Formaldehyd-[bis-(4-acetyl-2-methoxy-phenyl)-acetal]
- formaldehyde-[bis-(4-acetyl-2-methoxy-phenyl)-acetal]
- KST-1B6555
- NSC16740
- DTXSID10280417
- NSC-16740
- 5446-98-0
- 1,1'-{Methylenebis[oxy(3-methoxy-4,1-phenylene)]}di(ethan-1-one)
-
-
- Inchi： 1S/C19H20O6/c1-12(20)14-5-7-16(18(9-14)22-3)24-11-25-17-8-6-15(13(2)21)10-19(17)23-4/h5-10H,11H2,1-4H3
- InChI Key： MNJXYAFXHCEZOD-UHFFFAOYSA-N
- SMILES： O(COC1C=CC(C(C)=O)=CC=1OC)C1C=CC(C(C)=O)=CC=1OC
Computed Properties
- Exact Mass: 344.126
- Monoisotopic Mass: 344.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 8
- Complexity: 411
- 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: 3
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- Density: 1.175
- Boiling Point: 524.4°C at 760 mmHg
- Flash Point: 230.9°C
- Refractive Index: 1.544
- PSA: 71.06
- LogP: 3.52430
Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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