Cas no 29078-21-5 (Benzoxazole,2-methyl-7-(1-methylethyl)-)
29078-21-5 structure
Product Name:Benzoxazole,2-methyl-7-(1-methylethyl)-
CAS No:29078-21-5
MF:C11H13NO
MW:175.227022886276
CID:240201
PubChem ID:45096675
Update Time:2025-04-19
Benzoxazole,2-methyl-7-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoxazole,2-methyl-7-(1-methylethyl)-
- Benzoxazole,7-isopropyl-2-methyl- (8CI)
- 2-methyl-7-propan-2-yl-1,3-benzoxazole
- SCHEMBL13450393
- 29078-21-5
- DTXSID50667506
- 2-Methyl-7-(propan-2-yl)-1,3-benzoxazole
- 7-isopropyl-2-methylbenzo[d]oxazole
-
- Inchi： 1S/C11H13NO/c1-7(2)9-5-4-6-10-11(9)13-8(3)12-10/h4-7H,1-3H3
- InChI Key： RQZKJJKXOPPQHY-UHFFFAOYSA-N
- SMILES： O1C(C)=NC2=CC=CC(=C12)C(C)C
Computed Properties
- Exact Mass: 175.09979
- Monoisotopic Mass: 175.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 181
- 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
- Topological Polar Surface Area: 26A^2
- XLogP3: 3.3
Experimental Properties
- PSA: 26.03
Benzoxazole,2-methyl-7-(1-methylethyl)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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