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820221-60-1 | Isoxazole, 2,5-dihydro-2-hydroxy-4-methyl-
CAS No: 820221-60-1 Catalog No: AG005E1S MDL No:
Product Description
Catalog Number:
AG005E1S
Chemical Name:
Isoxazole, 2,5-dihydro-2-hydroxy-4-methyl-
CAS Number:
820221-60-1
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
IUPAC Name:
2-hydroxy-4-methyl-5H-1,2-oxazole
InChI:
InChI=1S/C4H7NO2/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3
InChI Key:
KAJXILCGLVEIAO-UHFFFAOYSA-N
SMILES:
CC1=CN(OC1)O
Properties
Complexity:
99.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.105g/mol
Monoisotopic Mass:
101.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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