Cas no 877760-11-7 (4-Isoxazolecarboxylicacid, 3-propyl-)
877760-11-7 structure
Product Name:4-Isoxazolecarboxylicacid, 3-propyl-
CAS No:877760-11-7
MF:C7H9NO3
MW:155.151262044907
CID:710114
PubChem ID:45117979
Update Time:2025-04-19
4-Isoxazolecarboxylicacid, 3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid, 3-propyl-
- 3-propyl-1,2-oxazole-4-carboxylic acid
- 3-propylisoxazole-4-carboxylicacid
- 3-propylisoxazole-4-carboxylic acid
- SCHEMBL5275821
- DTXSID50668715
- 877760-11-7
-
- Inchi： 1S/C7H9NO3/c1-2-3-6-5(7(9)10)4-11-8-6/h4H,2-3H2,1H3,(H,9,10)
- InChI Key： AJCDULWYVUGNPW-UHFFFAOYSA-N
- SMILES： O1C=C(C(=O)O)C(CCC)=N1
Computed Properties
- Exact Mass: 155.058
- Monoisotopic Mass: 155.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- 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
- Topological Polar Surface Area: 63.3A^2
- XLogP3: 1.1
4-Isoxazolecarboxylicacid, 3-propyl- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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