Cas no 61372-94-9 (Propanedioic acid, [(4-ethenylphenyl)methylene]-)
61372-94-9 structure
Product Name:Propanedioic acid, [(4-ethenylphenyl)methylene]-
CAS No:61372-94-9
MF:C12H10O4
MW:218.205403804779
CID:481762
PubChem ID:71396382
Update Time:2025-04-19
Propanedioic acid, [(4-ethenylphenyl)methylene]- Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, [(4-ethenylphenyl)methylene]-
- 2-[(4-ethenylphenyl)methylidene]propanedioic acid
- DTXSID80817951
- 61372-94-9
- [(4-Ethenylphenyl)methylidene]propanedioic acid
-
- Inchi: 1S/C12H10O4/c1-2-8-3-5-9(6-4-8)7-10(11(13)14)12(15)16/h2-7H,1H2,(H,13,14)(H,15,16)
- InChI Key: XSOUIEOIAJWSRU-UHFFFAOYSA-N
- SMILES: OC(/C(/C(=O)O)=C/C1C=CC(C=C)=CC=1)=O
Computed Properties
- Exact Mass: 218.0579
- Monoisotopic Mass: 218.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 306
- 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: 3.5
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Propanedioic acid, [(4-ethenylphenyl)methylene]- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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