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16401-14-2 | 5-FORMYLISOXAZOLE
CAS No: 16401-14-2 Catalog No: AG00ABF8 MDL No:MFCD07778412
Product Description
Catalog Number:
AG00ABF8
Chemical Name:
5-FORMYLISOXAZOLE
CAS Number:
16401-14-2
Molecular Formula:
C4H3NO2
Molecular Weight:
97.0721
MDL Number:
MFCD07778412
IUPAC Name:
1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C4H3NO2/c6-3-4-1-2-5-7-4/h1-3H
InChI Key:
GSIPOZWLYGLXDM-UHFFFAOYSA-N
SMILES:
O=Cc1ccno1
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:
0.2
Literature
| Title | Journal |
|---|---|
| Enhancing the reaction rates of Morita-Baylis-Hillman reaction in heterocyclic aldehydes by substitutions. | Chemphyschem : a European journal of chemical physics and physical chemistry 20121112 |
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