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930-83-6

930-83-6 | 3-isoxazolol, 4,5-dimethyl-

CAS No: 930-83-6 Catalog No: AG0065Y1 MDL No:MFCD00955685

Product Description

Catalog Number:
AG0065Y1
Chemical Name:
3-isoxazolol, 4,5-dimethyl-
CAS Number:
930-83-6
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
MDL Number:
MFCD00955685
IUPAC Name:
4,5-dimethyl-1,2-oxazol-3-one
InChI:
InChI=1S/C5H7NO2/c1-3-4(2)8-6-5(3)7/h1-2H3,(H,6,7)
InChI Key:
KIJKSVJGPLKILI-UHFFFAOYSA-N
SMILES:
Oc1noc(c1C)C
NSC Number:
151713

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:
2  
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:
0.5  

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