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87967-94-0 | 4-Isoxazolecarboxaldehyde, 5-ethyl-3-methyl-
CAS No: 87967-94-0 Catalog No: AG004E8A MDL No:MFCD24681586
Product Description
Catalog Number:
AG004E8A
Chemical Name:
4-Isoxazolecarboxaldehyde, 5-ethyl-3-methyl-
CAS Number:
87967-94-0
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD24681586
IUPAC Name:
5-ethyl-3-methyl-1,2-oxazole-4-carbaldehyde
InChI:
InChI=1S/C7H9NO2/c1-3-7-6(4-9)5(2)8-10-7/h4H,3H2,1-2H3
InChI Key:
FXXQAJPVKTYGTO-UHFFFAOYSA-N
SMILES:
CCc1onc(c1C=O)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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