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1354939-81-3 | 3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-ol
CAS No: 1354939-81-3 Catalog No: AG00JSS6 MDL No:MFCD21334977
Product Description
Catalog Number:
AG00JSS6
Chemical Name:
3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-ol
CAS Number:
1354939-81-3
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD21334977
IUPAC Name:
3-(2,4,6-trimethylphenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C12H13NO2/c1-7-4-8(2)12(9(3)5-7)10-6-11(14)15-13-10/h4-6,13H,1-3H3
InChI Key:
WISPYUKMQGKMOA-UHFFFAOYSA-N
SMILES:
Oc1onc(c1)c1c(C)cc(cc1C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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