Cas no 89007-03-4 (4-Oxazolecarboxylic acid, 5-pentyl-)
89007-03-4 structure
Product Name:4-Oxazolecarboxylic acid, 5-pentyl-
CAS No:89007-03-4
MF:C9H13NO3
MW:183.204422712326
CID:616308
PubChem ID:13490310
Update Time:2025-04-19
4-Oxazolecarboxylic acid, 5-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylic acid, 5-pentyl-
- 5-pentyl-1,3-oxazole-4-carboxylic acid
- 5-pentyloxazole-4-carboxylic acid
- 89007-03-4
- SCHEMBL4782648
- 5-n-pentyl-4-oxazolecarboxylic acid
- LQFQGNMSWOHLCU-UHFFFAOYSA-N
- DTXSID00542076
-
- Inchi： 1S/C9H13NO3/c1-2-3-4-5-7-8(9(11)12)10-6-13-7/h6H,2-5H2,1H3,(H,11,12)
- InChI Key： LQFQGNMSWOHLCU-UHFFFAOYSA-N
- SMILES： O1C=NC(C(=O)O)=C1CCCCC
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: 2.5
- Topological Polar Surface Area: 63.3?2
4-Oxazolecarboxylic acid, 5-pentyl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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