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1188049-17-3 | 3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-ol
CAS No: 1188049-17-3 Catalog No: AG00JSSF MDL No:MFCD21335013
Product Description
Catalog Number:
AG00JSSF
Chemical Name:
3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-ol
CAS Number:
1188049-17-3
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD21335013
IUPAC Name:
3-(2,3-dimethoxyphenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C11H11NO4/c1-14-9-5-3-4-7(11(9)15-2)8-6-10(13)16-12-8/h3-6,12H,1-2H3
InChI Key:
RXTLGNIRBBHONC-UHFFFAOYSA-N
SMILES:
COc1c(OC)cccc1c1noc(c1)O
Properties
Complexity:
302
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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