Cas no 724467-49-6 (Phenol,4-(4-ethyl-2-oxazolyl)-2-methoxy-)
724467-49-6 structure
Product Name:Phenol,4-(4-ethyl-2-oxazolyl)-2-methoxy-
CAS No:724467-49-6
MF:C12H13NO3
MW:219.236523389816
CID:558636
PubChem ID:135974501
Update Time:2025-04-19
Phenol,4-(4-ethyl-2-oxazolyl)-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4-(4-ethyl-2-oxazolyl)-2-methoxy-
- Phenol, 4-(4-ethyl-2-oxazolyl)-2-methoxy- (9CI)
- 724467-49-6
- PKMMNSUQTUVRBO-UHFFFAOYSA-N
- 4-(4-ethyloxazol-2-yl)-2-methoxyphenol
- SCHEMBL1400492
- 4-(4-Ethyl-1,3-oxazol-2-yl)-2-methoxyphenol
-
- Inchi： 1S/C12H13NO3/c1-3-9-7-16-12(13-9)8-4-5-10(14)11(6-8)15-2/h4-7,14H,3H2,1-2H3
- InChI Key： PKMMNSUQTUVRBO-UHFFFAOYSA-N
- SMILES： O1C=C(CC)N=C1C1C=CC(=C(C=1)OC)O
Computed Properties
- Exact Mass: 219.09
- Monoisotopic Mass: 219.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 441
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 47.6A^2
- XLogP3: 2.4
Phenol,4-(4-ethyl-2-oxazolyl)-2-methoxy- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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