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13488-71-6 | 7a-methyl-2-(phenoxymethyl)tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole
CAS No: 13488-71-6 Catalog No: AG007ZSY MDL No:
Product Description
Catalog Number:
AG007ZSY
Chemical Name:
7a-methyl-2-(phenoxymethyl)tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole
CAS Number:
13488-71-6
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
7a-methyl-6-(phenoxymethyl)-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
InChI:
InChI=1S/C13H17NO3/c1-13-14(7-8-16-13)9-12(17-13)10-15-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChI Key:
YOTZQQWDFSJCEY-UHFFFAOYSA-N
SMILES:
CC12OCCN2CC(O1)COc1ccccc1
NSC Number:
157474
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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