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Home > Other Heterocycles > 30810-98-1
30810-98-1 | Spiro[cyclopentane-1,6'(7'H)-naphtho[1,2-c]furan]-1',3'-dione
CAS No: 30810-98-1 Catalog No: AG0031DD MDL No:
Product Description
Catalog Number:
AG0031DD
Chemical Name:
Spiro[cyclopentane-1,6'(7'H)-naphtho[1,2-c]furan]-1',3'-dione
CAS Number:
30810-98-1
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
spiro[7H-benzo[e][2]benzofuran-6,1'-cyclopentane]-1,3-dione
InChI:
InChI=1S/C16H14O3/c17-14-11-5-6-12-10(13(11)15(18)19-14)4-3-9-16(12)7-1-2-8-16/h3-6H,1-2,7-9H2
InChI Key:
SZWVYTMNAYHHLI-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1c1C=CCC3(c1cc2)CCCC3
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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