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13054-62-1 | dimethyl-1,2-oxazol-4-ol
CAS No: 13054-62-1 Catalog No: AG00HS44 MDL No:MFCD00971938
Product Description
Catalog Number:
AG00HS44
Chemical Name:
dimethyl-1,2-oxazol-4-ol
CAS Number:
13054-62-1
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
MDL Number:
MFCD00971938
IUPAC Name:
3,5-dimethyl-1,2-oxazol-4-ol
InChI:
InChI=1S/C5H7NO2/c1-3-5(7)4(2)8-6-3/h7H,1-2H3
InChI Key:
WESPSRWVKAUXKP-UHFFFAOYSA-N
SMILES:
Oc1c(C)noc1C
Properties
Complexity:
86.5
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:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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