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515144-79-3 | 4-Isoxazolol, 3-methyl-
CAS No: 515144-79-3 Catalog No: AG006VMY MDL No:
Product Description
Catalog Number:
AG006VMY
Chemical Name:
4-Isoxazolol, 3-methyl-
CAS Number:
515144-79-3
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
IUPAC Name:
3-methyl-1,2-oxazol-4-ol
InChI:
InChI=1S/C4H5NO2/c1-3-4(6)2-7-5-3/h2,6H,1H3
InChI Key:
KUMOAOQYJJANKL-UHFFFAOYSA-N
SMILES:
Oc1conc1C
Properties
Complexity:
66.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
99.089g/mol
Monoisotopic Mass:
99.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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