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29279-99-0 | 3,4-DiMethylisoxazol-5-ol
CAS No: 29279-99-0 Catalog No: AG00BIO2 MDL No:
Product Description
Catalog Number:
AG00BIO2
Chemical Name:
3,4-DiMethylisoxazol-5-ol
CAS Number:
29279-99-0
IUPAC Name:
3,4-dimethyl-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C5H7NO2/c1-3-4(2)6-8-5(3)7/h6H,1-2H3
InChI Key:
WKQGJZHWFBLONX-UHFFFAOYSA-N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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