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20662-84-4 | Oxazole, 2,4,5-trimethyl-
CAS No: 20662-84-4 Catalog No: AG002ILI MDL No:MFCD00005308
Product Description
Catalog Number:
AG002ILI
Chemical Name:
Oxazole, 2,4,5-trimethyl-
CAS Number:
20662-84-4
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD00005308
IUPAC Name:
2,4,5-trimethyl-1,3-oxazole
InChI:
InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
InChI Key:
ZRLDBDZSLLGDOX-UHFFFAOYSA-N
SMILES:
Cc1oc(c(n1)C)C
EC Number:
243-952-4
UNII:
B04PF51WXI
FEMA Number:
4394
Properties
Complexity:
84.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| The cysteine reaction with diacetyl under wine-like conditions: proposed mechanisms for mixed origins of 2-methylthiazole, 2-methyl-3-thiazoline, 2-methylthiazolidine, and 2,4,5-trimethyloxazole. | Journal of food science 20110801 |
| 4-[(2,4-Dimethyl-1,3-oxazol-5-yl)meth-yl]-4-hydr-oxy-2-methyl-isoquinoline-1,3(2H,4H)-dione. | Acta crystallographica. Section E, Structure reports online 20100401 |
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