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23012-11-5 | Oxazole, 2,5-dimethyl-
CAS No: 23012-11-5 Catalog No: AG002LV0 MDL No:MFCD18250011
Product Description
Catalog Number:
AG002LV0
Chemical Name:
Oxazole, 2,5-dimethyl-
CAS Number:
23012-11-5
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
MDL Number:
MFCD18250011
IUPAC Name:
2,5-dimethyl-1,3-oxazole
InChI:
InChI=1S/C5H7NO/c1-4-3-6-5(2)7-4/h3H,1-2H3
InChI Key:
NSAUQTCATRWAJC-UHFFFAOYSA-N
SMILES:
Cc1ncc(o1)C
EC Number:
245-380-0
UNII:
9N2TP6H91D
Properties
Complexity:
65.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| The pyrolysis of isoxazole revisited: a new primary product and the pivotal role of the vinylnitrene. A low-temperature matrix isolation and computational study. | Journal of the American Chemical Society 20111123 |
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