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189056-96-0 | Isoxazole, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-3-methyl-
CAS No: 189056-96-0 Catalog No: AG002HSU MDL No:
Product Description
Catalog Number:
AG002HSU
Chemical Name:
Isoxazole, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-3-methyl-
CAS Number:
189056-96-0
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-3-methyl-1,2-oxazole
InChI:
InChI=1S/C13H12N2O3/c1-9-8-12(18-15-9)17-11-4-2-10(3-5-11)13-14-6-7-16-13/h2-5,8H,6-7H2,1H3
InChI Key:
DTJIOMWGEGFQQL-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)Oc1ccc(cc1)C1=NCCO1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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