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776-88-5 | 1,3-Dioxane,5,5-dimethyl-2-phenyl-
CAS No: 776-88-5 Catalog No: AG005GJO MDL No:
Product Description
Catalog Number:
AG005GJO
Chemical Name:
1,3-Dioxane,5,5-dimethyl-2-phenyl-
CAS Number:
776-88-5
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
5,5-dimethyl-2-phenyl-1,3-dioxane
InChI:
InChI=1S/C12H16O2/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChI Key:
VUJMMVJKRWURKX-UHFFFAOYSA-N
SMILES:
CC1(C)COC(OC1)c1ccccc1
EC Number:
212-284-5
NSC Number:
46263
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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