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Home > Other Heterocycles > 6711-71-3
6711-71-3 | Spiro[1,3-benzodioxole-2,1'(4'H)-naphthalen]-4'-one
CAS No: 6711-71-3 Catalog No: AG005R4W MDL No:
Product Description
Catalog Number:
AG005R4W
Chemical Name:
Spiro[1,3-benzodioxole-2,1'(4'H)-naphthalen]-4'-one
CAS Number:
6711-71-3
Molecular Formula:
C16H10O3
Molecular Weight:
250.2488
IUPAC Name:
spiro[1,3-benzodioxole-2,4'-naphthalene]-1'-one
InChI:
InChI=1S/C16H10O3/c17-13-9-10-16(12-6-2-1-5-11(12)13)18-14-7-3-4-8-15(14)19-16/h1-10H
InChI Key:
BNLZRNLHABOTGE-UHFFFAOYSA-N
SMILES:
O=C1C=CC2(c3c1cccc3)Oc1c(O2)cccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.253g/mol
Monoisotopic Mass:
250.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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