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675846-81-8 | Isoxazole, 4,5-dihydro-3-[(1-methyl-2-propynyl)oxy]-
CAS No: 675846-81-8 Catalog No: AG005ZF0 MDL No:
Product Description
Catalog Number:
AG005ZF0
Chemical Name:
Isoxazole, 4,5-dihydro-3-[(1-methyl-2-propynyl)oxy]-
CAS Number:
675846-81-8
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
3-but-3-yn-2-yloxy-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C7H9NO2/c1-3-6(2)10-7-4-5-9-8-7/h1,6H,4-5H2,2H3
InChI Key:
MTOBCYYXXTUTIZ-UHFFFAOYSA-N
SMILES:
CC(C#C)OC1=NOCC1
Properties
Complexity:
189
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:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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