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13715-50-9 | 1,4,2-Dioxazole, 5,5-dimethyl-3-phenyl-
CAS No: 13715-50-9 Catalog No: AG007ZTD MDL No:
Product Description
Catalog Number:
AG007ZTD
Chemical Name:
1,4,2-Dioxazole, 5,5-dimethyl-3-phenyl-
CAS Number:
13715-50-9
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
5,5-dimethyl-3-phenyl-1,4,2-dioxazole
InChI:
InChI=1S/C10H11NO2/c1-10(2)12-9(11-13-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:
UQRHFUNHNDHFRQ-UHFFFAOYSA-N
SMILES:
CC1(C)ON=C(O1)c1ccccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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