Cas no 90924-33-7 (Ethyl 2,1-benzoxazole-3-carboxylate)
90924-33-7 structure
Product Name:Ethyl 2,1-benzoxazole-3-carboxylate
CAS No:90924-33-7
MF:C10H9NO3
MW:191.183362722397
CID:995209
PubChem ID:264299
Update Time:2025-04-20
Ethyl 2,1-benzoxazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 90924-33-7
- SCHEMBL6818394
- ethyl benzo[c]isoxazole-3-carboxylate
- NSC-99349
- ethyl 2,1-benzoxazole-3-carboxylate
- DTXSID30920060
- NSC99349
- Ethyl 2,1-benzoxazole-3-carboxylate
-
- Inchi： 1S/C10H9NO3/c1-2-13-10(12)9-7-5-3-4-6-8(7)11-14-9/h3-6H,2H2,1H3
- InChI Key： VPWZXNSNZXOUAN-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OCC)=C2C=CC=CC2=N1
Computed Properties
- Exact Mass: 191.058
- Monoisotopic Mass: 191.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 219
- 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: 2.3
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- Density: 1.241
- Boiling Point: 312°C at 760 mmHg
- Flash Point: 142.5°C
- Refractive Index: 1.575
Ethyl 2,1-benzoxazole-3-carboxylate Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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