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1354918-91-4 | 3-(3,5-dimethoxyphenyl)-1,2-oxazol-5-ol
CAS No: 1354918-91-4 Catalog No: AG00JSRK MDL No:MFCD21334955
Product Description
Catalog Number:
AG00JSRK
Chemical Name:
3-(3,5-dimethoxyphenyl)-1,2-oxazol-5-ol
CAS Number:
1354918-91-4
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD21334955
IUPAC Name:
3-(3,5-dimethoxyphenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C11H11NO4/c1-14-8-3-7(4-9(5-8)15-2)10-6-11(13)16-12-10/h3-6,12H,1-2H3
InChI Key:
KWADPGZVGCFGBX-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)c1noc(c1)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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