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Home > Aldehydes > 113732-84-6
113732-84-6 | 4-Oxazolecarboxaldehyde, 2-methyl-
CAS No: 113732-84-6 Catalog No: AG0009GW MDL No:MFCD03265461
Product Description
Catalog Number:
AG0009GW
Chemical Name:
4-Oxazolecarboxaldehyde, 2-methyl-
CAS Number:
113732-84-6
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD03265461
IUPAC Name:
2-methyl-1,3-oxazole-4-carbaldehyde
InChI:
InChI=1S/C5H5NO2/c1-4-6-5(2-7)3-8-4/h2-3H,1H3
InChI Key:
ARAUEWKXKTYCHZ-UHFFFAOYSA-N
SMILES:
Cc1nc(co1)C=O
Properties
Complexity:
94.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Intramolecular palladium(II)-mediated alkoxy carbonylation as a route to functionalized tetrahydropyrans. Synthesis of the C9-C32 segment of phorboxazole A. | Organic letters 20011213 |
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