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127812-26-4 | Isoxazole, 4,5-dihydro-3-(1E)-1-propen-1-yl-
CAS No: 127812-26-4 Catalog No: AG000XFO MDL No:
Product Description
Catalog Number:
AG000XFO
Chemical Name:
Isoxazole, 4,5-dihydro-3-(1E)-1-propen-1-yl-
CAS Number:
127812-26-4
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
IUPAC Name:
3-prop-1-enyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C6H9NO/c1-2-3-6-4-5-8-7-6/h2-3H,4-5H2,1H3
InChI Key:
OCWWBKGUCHLVKS-UHFFFAOYSA-N
SMILES:
C/C=C/C1=NOCC1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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