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1188090-12-1 | 3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-ol
CAS No: 1188090-12-1 Catalog No: AG00JSRG MDL No:MFCD21334949
Product Description
Catalog Number:
AG00JSRG
Chemical Name:
3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-ol
CAS Number:
1188090-12-1
Molecular Formula:
C12H13NO5
Molecular Weight:
251.2353
MDL Number:
MFCD21334949
IUPAC Name:
3-(3,4,5-trimethoxyphenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C12H13NO5/c1-15-9-4-7(8-6-11(14)18-13-8)5-10(16-2)12(9)17-3/h4-6,13H,1-3H3
InChI Key:
GJIHMWNJCKAKEN-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1noc(c1)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.238g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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