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84705-72-6 | Oxazole, (1,4-phenylene)bis[dihydro-
CAS No: 84705-72-6 Catalog No: AG008GVS MDL No:
Product Description
Catalog Number:
AG008GVS
Chemical Name:
Oxazole, (1,4-phenylene)bis[dihydro-
CAS Number:
84705-72-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
2-[4-(2,3-dihydro-1,3-oxazol-2-yl)phenyl]-2,3-dihydro-1,3-oxazole
InChI:
InChI=1S/C12H12N2O2/c1-2-10(12-14-6-8-16-12)4-3-9(1)11-13-5-7-15-11/h1-8,11-14H
InChI Key:
UVWQHTHDTSCYHC-UHFFFAOYSA-N
SMILES:
C1=COC(N1)c1ccc(cc1)C1NC=CO1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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