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90288-58-7 | Isoxazole, 3-methyl-5-[[2-(oxiranylmethoxy)phenoxy]methyl]-
CAS No: 90288-58-7 Catalog No: AG006GNW MDL No:
Product Description
Catalog Number:
AG006GNW
Chemical Name:
Isoxazole, 3-methyl-5-[[2-(oxiranylmethoxy)phenoxy]methyl]-
CAS Number:
90288-58-7
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
IUPAC Name:
3-methyl-5-[[2-(oxiran-2-ylmethoxy)phenoxy]methyl]-1,2-oxazole
InChI:
InChI=1S/C14H15NO4/c1-10-6-11(19-15-10)7-17-13-4-2-3-5-14(13)18-9-12-8-16-12/h2-6,12H,7-9H2,1H3
InChI Key:
VKCWNZHTJBSAIF-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)COc1ccccc1OCC1CO1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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