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Home > Other Heterocycles > 65478-51-5
65478-51-5 | Spiro[cyclobutane-1,3'(4'H)-[2H]naphtho[2,3-b][1,4]dioxepin]
CAS No: 65478-51-5 Catalog No: AG006Q5A MDL No:
Product Description
Catalog Number:
AG006Q5A
Chemical Name:
Spiro[cyclobutane-1,3'(4'H)-[2H]naphtho[2,3-b][1,4]dioxepin]
CAS Number:
65478-51-5
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
IUPAC Name:
spiro[2,4-dihydrobenzo[h][1,5]benzodioxepine-3,1'-cyclobutane]
InChI:
InChI=1S/C16H16O2/c1-2-5-13-9-15-14(8-12(13)4-1)17-10-16(11-18-15)6-3-7-16/h1-2,4-5,8-9H,3,6-7,10-11H2
InChI Key:
YCSIRVVAWFFRDV-UHFFFAOYSA-N
SMILES:
C1CC2(C1)COc1c(OC2)cc2c(c1)cccc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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