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118994-84-6 | 4-Oxazolecarboxaldehyde
CAS No: 118994-84-6 Catalog No: AG0038YO MDL No:MFCD02179512
Product Description
Catalog Number:
AG0038YO
Chemical Name:
4-Oxazolecarboxaldehyde
CAS Number:
118994-84-6
Molecular Formula:
C4H3NO2
Molecular Weight:
97.0721
MDL Number:
MFCD02179512
IUPAC Name:
1,3-oxazole-4-carbaldehyde
InChI:
InChI=1S/C4H3NO2/c6-1-4-2-7-3-5-4/h1-3H
InChI Key:
JBWIIXBEPINWPB-UHFFFAOYSA-N
SMILES:
O=Cc1cocn1
Properties
Complexity:
74.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.016g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.073g/mol
Monoisotopic Mass:
97.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| A general synthesis of substituted formylpyrroles from ketones and 4-formyloxazole. | Organic letters 20070510 |
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