Cas no 2008-05-1 (Benzoxazole, 2-propyl-)
Benzoxazole, 2-propyl- structure
Product Name:Benzoxazole, 2-propyl-
CAS No:2008-05-1
MF:C10H11NO
MW:161.200442552567
CID:238971
PubChem ID:12406329
Update Time:2025-04-19
Benzoxazole, 2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoxazole, 2-propyl-
- SCHEMBL1748040
- 2-Propylbenzoxazole
- DTXSID70496774
- 2008-05-1
- 2-Propyl-1,3-benzoxazole
-
- Inchi： 1S/C10H11NO/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3
- InChI Key： VUSJXKGMIHFNRB-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2N=C1CCC
Computed Properties
- Exact Mass: 161.08413
- Monoisotopic Mass: 161.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 149
- 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: 3
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Benzoxazole, 2-propyl- Related Literature
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
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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