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1354937-89-5

1354937-89-5 | 3-(3,4-diethoxyphenyl)-1,2-oxazol-5-ol

CAS No: 1354937-89-5 Catalog No: AG00JSSH MDL No:MFCD21335016

Product Description

Catalog Number:
AG00JSSH
Chemical Name:
3-(3,4-diethoxyphenyl)-1,2-oxazol-5-ol
CAS Number:
1354937-89-5
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD21335016
IUPAC Name:
3-(3,4-diethoxyphenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C13H15NO4/c1-3-16-11-6-5-9(7-12(11)17-4-2)10-8-13(15)18-14-10/h5-8,14H,3-4H2,1-2H3
InChI Key:
CNXSTNUEQPYEFQ-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)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:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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