Cas no 492994-32-8 (Butanedioic acid, mono(4-formylphenyl) ester)
492994-32-8 structure
Product Name:Butanedioic acid, mono(4-formylphenyl) ester
CAS No:492994-32-8
MF:C11H9O5
MW:221.186163663864
CID:1519502
PubChem ID:71362682
Update Time:2025-04-21
Butanedioic acid, mono(4-formylphenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, mono(4-formylphenyl) ester
- 4-(4-formylphenoxy)-4-oxobutanoate
- DTXSID20786293
- 492994-32-8
-
- Inchi： 1S/C11H10O5/c12-7-8-1-3-9(4-2-8)16-11(15)6-5-10(13)14/h1-4,7H,5-6H2,(H,13,14)/p-1
- InChI Key： NTAILTVKNLPYBU-UHFFFAOYSA-M
- SMILES： O(C(CCC(=O)[O-])=O)C1C=CC(C=O)=CC=1
Computed Properties
- Exact Mass: 221.04497
- Monoisotopic Mass: 221.04499838g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 260
- 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: 1.2
- Topological Polar Surface Area: 83.5?2
Experimental Properties
- PSA: 83.5
Butanedioic acid, mono(4-formylphenyl) ester Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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