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89479-75-4 | Isoxazole, 4-(dimethoxymethyl)-4,5-dihydro-3-methyl-5-phenyl-
CAS No: 89479-75-4 Catalog No: AG0042E9 MDL No:
Product Description
Catalog Number:
AG0042E9
Chemical Name:
Isoxazole, 4-(dimethoxymethyl)-4,5-dihydro-3-methyl-5-phenyl-
CAS Number:
89479-75-4
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C13H17NO3/c1-9-11(13(15-2)16-3)12(17-14-9)10-7-5-4-6-8-10/h4-8,11-13H,1-3H3
InChI Key:
IENCRPKFEJHYNL-UHFFFAOYSA-N
SMILES:
COC(C1C(=NOC1c1ccccc1)C)OC
Properties
Complexity:
270
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:
4
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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