Cas no 104516-56-5 (4-(5-methyl-1,2-oxazol-3-ylidene)cyclohexa-2,5-dien-1-one)
104516-56-5 structure
Product Name:4-(5-methyl-1,2-oxazol-3-ylidene)cyclohexa-2,5-dien-1-one
CAS No:104516-56-5
MF:C10H9NO2
MW:175.183962583542
CID:1143883
PubChem ID:135574471
Update Time:2025-04-20
4-(5-methyl-1,2-oxazol-3-ylidene)cyclohexa-2,5-dien-1-one Chemical and Physical Properties
Names and Identifiers
-
- 4-(5-methyl-1,2-oxazol-3-ylidene)cyclohexa-2,5-dien-1-one
- 4-(5-methyl-3-isoxazolyl)Phenol
- DA-22411
- SCHEMBL9409756
- GFMDXDJEIFOOOD-UHFFFAOYSA-N
- 4-(5-methylisoxazol-3-yl)phenol
- DTXSID60545048
- 104516-56-5
- 4-(5-Methyl-1,2-oxazol-3(2H)-ylidene)cyclohexa-2,5-dien-1-one
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- Inchi： 1S/C10H9NO2/c1-7-6-10(11-13-7)8-2-4-9(12)5-3-8/h2-6,12H,1H3
- InChI Key： GFMDXDJEIFOOOD-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C2C=CC(=CC=2)O)=N1
Computed Properties
- Exact Mass: 175.06337
- Monoisotopic Mass: 175.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 166
- 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: 2.1
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.26
4-(5-methyl-1,2-oxazol-3-ylidene)cyclohexa-2,5-dien-1-one Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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