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59167-68-9 | 4,5-dimethyl-1,3-oxazol-2(3H)-one
CAS No: 59167-68-9 Catalog No: AG00J2K5 MDL No:MFCD16990067
Product Description
Catalog Number:
AG00J2K5
Chemical Name:
4,5-dimethyl-1,3-oxazol-2(3H)-one
CAS Number:
59167-68-9
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
MDL Number:
MFCD16990067
IUPAC Name:
4,5-dimethyl-3H-1,3-oxazol-2-one
InChI:
InChI=1S/C5H7NO2/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7)
InChI Key:
XFHVEEHRWSWVGA-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(c(o1)C)C
NSC Number:
129749
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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