Cas no 539827-21-9 (2H-Pyran-2-one, 4-hydroxy-6-[(3E)-2-oxo-4-phenyl-3-butenyl]-)
![2H-Pyran-2-one, 4-hydroxy-6-[(3E)-2-oxo-4-phenyl-3-butenyl]- structure](https://ossimg.kuujia.com/scimg/540000/539827-21-9x500.png)
539827-21-9 structure
Product Name:2H-Pyran-2-one, 4-hydroxy-6-[(3E)-2-oxo-4-phenyl-3-butenyl]-
CAS No:539827-21-9
MF:C15H12O4
MW:256.253384590149
CID:355923
PubChem ID:71364946
Update Time:2025-04-19
2H-Pyran-2-one, 4-hydroxy-6-[(3E)-2-oxo-4-phenyl-3-butenyl]- Chemical and Physical Properties
Names and Identifiers
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- 2H-Pyran-2-one, 4-hydroxy-6-[(3E)-2-oxo-4-phenyl-3-butenyl]-
- 4-hydroxy-6-(2-oxo-4-phenylbut-3-enyl)pyran-2-one
- 539827-21-9
- DTXSID70788388
- 4-Hydroxy-6-(2-oxo-4-phenylbut-3-en-1-yl)-2H-pyran-2-one
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- Inchi： 1S/C15H12O4/c16-12(7-6-11-4-2-1-3-5-11)8-14-9-13(17)10-15(18)19-14/h1-7,9-10,17H,8H2
- InChI Key： LLVTWOUSIFFNHR-UHFFFAOYSA-N
- SMILES： O1C(C=C(C=C1CC(C=CC1C=CC=CC=1)=O)O)=O
Computed Properties
- Exact Mass: 256.07356
- Monoisotopic Mass: 256.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 451
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.9
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
2H-Pyran-2-one, 4-hydroxy-6-[(3E)-2-oxo-4-phenyl-3-butenyl]- Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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