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143702-12-9 | 1,4,2-Dioxazine, 5,6-dihydro-5,5,6-trimethyl-3-(phenylmethyl)-
CAS No: 143702-12-9 Catalog No: AG001I7T MDL No:
Product Description
Catalog Number:
AG001I7T
Chemical Name:
1,4,2-Dioxazine, 5,6-dihydro-5,5,6-trimethyl-3-(phenylmethyl)-
CAS Number:
143702-12-9
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
3-benzyl-5,5,6-trimethyl-6H-1,4,2-dioxazine
InChI:
InChI=1S/C13H17NO2/c1-10-13(2,3)15-12(14-16-10)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChI Key:
FMWZSVLJYZTNFH-UHFFFAOYSA-N
SMILES:
CC1ON=C(OC1(C)C)Cc1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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