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Home > Other Heterocycles > 122762-89-4
122762-89-4 | 4,8-Dioxaspiro[2.5]oct-1-ene, 6,6-dimethyl-1-phenyl-
CAS No: 122762-89-4 Catalog No: AG000JFK MDL No:
Product Description
Catalog Number:
AG000JFK
Chemical Name:
4,8-Dioxaspiro[2.5]oct-1-ene, 6,6-dimethyl-1-phenyl-
CAS Number:
122762-89-4
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
6,6-dimethyl-2-phenyl-4,8-dioxaspiro[2.5]oct-1-ene
InChI:
InChI=1S/C14H16O2/c1-13(2)9-15-14(16-10-13)8-12(14)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3
InChI Key:
JISRFAFRQDNHEQ-UHFFFAOYSA-N
SMILES:
CC1(C)COC2(OC1)C=C2c1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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