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1202769-66-1 | 2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol
CAS No: 1202769-66-1 Catalog No: AG0093S4 MDL No:MFCD21364447
Product Description
Catalog Number:
AG0093S4
Chemical Name:
2-(5-Methylisoxazol-3-yl)but-3-yn-2-ol
CAS Number:
1202769-66-1
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD21364447
IUPAC Name:
2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol
InChI:
InChI=1S/C8H9NO2/c1-4-8(3,10)7-5-6(2)11-9-7/h1,5,10H,2-3H3
InChI Key:
YUGDGZWIUSSLGX-UHFFFAOYSA-N
SMILES:
CC(c1cc(on1)C)(C#C)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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