Cas no 89967-39-5 (3-Isoxazolecarboxylic acid, 5-pentyl-)
89967-39-5 structure
Product Name:3-Isoxazolecarboxylic acid, 5-pentyl-
CAS No:89967-39-5
MF:C9H13NO3
MW:183.204422712326
CID:584565
PubChem ID:13153556
Update Time:2025-04-19
3-Isoxazolecarboxylic acid, 5-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylic acid, 5-pentyl-
- 5-pentyl-1,2-oxazole-3-carboxylic acid
- 89967-39-5
- 5-Pentylisoxazole-3-carboxylic acid
- WCZXKMNWORSJGL-UHFFFAOYSA-N
- DTXSID90522564
- SCHEMBL4016809
-
- Inchi: 1S/C9H13NO3/c1-2-3-4-5-7-6-8(9(11)12)10-13-7/h6H,2-5H2,1H3,(H,11,12)
- InChI Key: WCZXKMNWORSJGL-UHFFFAOYSA-N
- SMILES: O1C(=CC(C(=O)O)=N1)CCCCC
Computed Properties
- Exact Mass: 183.08954328g/mol
- Monoisotopic Mass: 183.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 172
- 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: 2.6
- Topological Polar Surface Area: 63.3?2
3-Isoxazolecarboxylic acid, 5-pentyl- Related Literature
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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