Cas no 5424-72-6 ( )
structure
Product Name:
CAS No:5424-72-6
MF:C19H22O4
MW:314.375586032867
CID:940230
PubChem ID:224039
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pentanoic acid
- 3-(3-Methoxy-phenyl)-2-(4-methoxy-phenyl)-valeriansaeure
- 3-(3-methoxy-phenyl)-2-(4-methoxy-phenyl)-valeric acid
- AC1L5D02
- AC1Q5RSS
- AG-K-03700
- AR-1E6637
- CTK5A0163
- NSC12264
- 5424-72-6
- NSC-12264
- DTXSID30279323
-
-
- Inchi： 1S/C19H22O4/c1-4-17(14-6-5-7-16(12-14)23-3)18(19(20)21)13-8-10-15(22-2)11-9-13/h5-12,17-18H,4H2,1-3H3,(H,20,21)
- InChI Key： YSWXNSSNXKEMCA-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC(=CC=1)OC)C(C1C=CC=C(C=1)OC)CC)=O
Computed Properties
- Exact Mass: 314.15186
- Monoisotopic Mass: 314.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 362
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.136
- Boiling Point: 436.4°C at 760 mmHg
- Flash Point: 150.8°C
- Refractive Index: 1.557
- PSA: 55.76
- LogP: 4.06580
Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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