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6159-23-5

6159-23-5 | 4,5-Dihydro-2,4-dimethyloxazole

CAS No: 6159-23-5 Catalog No: AG00ELT5 MDL No:

Product Description

Catalog Number:
AG00ELT5
Chemical Name:
4,5-Dihydro-2,4-dimethyloxazole
CAS Number:
6159-23-5
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
IUPAC Name:
2,4-dimethyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C5H9NO/c1-4-3-7-5(2)6-4/h4H,3H2,1-2H3
InChI Key:
BEQDKWKSUMQVMX-UHFFFAOYSA-N
SMILES:
CC1COC(=N1)C

Properties

Complexity:
98.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Literature

Title Journal
Stable isotope composition of fatty acids in organisms of different trophic levels in the Yenisei River. PloS one 20120101
Caenorhabditis elegans Delta12-desaturase FAT-2 is a bifunctional desaturase able to desaturate a diverse range of fatty acid substrates at the Delta12 and Delta15 positions. The Journal of biological chemistry 20111223
Characterization and analysis of the cotton cyclopropane fatty acid synthase family and their contribution to cyclopropane fatty acid synthesis. BMC plant biology 20110101
Characterization of cis-9 trans-11 trans-15 C18:3 in milk fat by GC and covalent adduct chemical ionization tandem MS. Journal of lipid research 20091201
Synthesis and mass spectrometry of benzoxazoline, dimethyloxazoline and 4-phenyloxazoline derivatives of polyunsaturated fatty acids. Rapid communications in mass spectrometry : RCM 20070101
Total structure characterization of unsaturated acidic phospholipids provided by vicinal di-hydroxylation of fatty acid double bonds and negative electrospray ionization mass spectrometry. Journal of the American Society for Mass Spectrometry 20050101
Occurrence of a novel cis,cis,cis-octadeca-3,9,12-trienoic (Z,Z,Z-octadeca-3,9,12-trienoic) acid in Chrysanthemum (tanacetum) zawadskii herb. (Compositae) seed oil. Lipids 20030501

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