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70753-36-5 | 3-Methylisoxazole-5-carbaldehyde
CAS No: 70753-36-5 Catalog No: AG005GNA MDL No:MFCD09751673
Product Description
Catalog Number:
AG005GNA
Chemical Name:
3-Methylisoxazole-5-carbaldehyde
CAS Number:
70753-36-5
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD09751673
IUPAC Name:
3-methyl-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C5H5NO2/c1-4-2-5(3-7)8-6-4/h2-3H,1H3
InChI Key:
GEWPFPUABRRBPS-UHFFFAOYSA-N
SMILES:
Cc1cc(on1)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:
0.6
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