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126724-95-6 | Naphtho[1,2-c]furan-3(1H)-one, 8-(2,5-dihydro-2-oxo-3-furanyl)-1-(3-furanyl)-6,7,8,9-tetrahydro-, (1R,8S)-
CAS No: 126724-95-6 Catalog No: AG000T4U MDL No:MFCD20260363
Product Description
Catalog Number:
AG000T4U
Chemical Name:
Naphtho[1,2-c]furan-3(1H)-one, 8-(2,5-dihydro-2-oxo-3-furanyl)-1-(3-furanyl)-6,7,8,9-tetrahydro-, (1R,8S)-
CAS Number:
126724-95-6
Molecular Formula:
C20H16O5
Molecular Weight:
336.3380
MDL Number:
MFCD20260363
IUPAC Name:
(1R,8S)-1-(furan-3-yl)-8-(5-oxo-2H-furan-4-yl)-6,7,8,9-tetrahydro-1H-benzo[e][2]benzofuran-3-one
InChI:
InChI=1S/C20H16O5/c21-19-14(6-8-24-19)12-2-1-11-3-4-15-17(16(11)9-12)18(25-20(15)22)13-5-7-23-10-13/h3-7,10,12,18H,1-2,8-9H2/t12-,18-/m0/s1
InChI Key:
GBTJKEKFEUNDHY-SGTLLEGYSA-N
SMILES:
O=C1OCC=C1[C@H]1CCc2c(C1)c1[C@@H](OC(=O)c1cc2)c1cocc1
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
336.1g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.343g/mol
Monoisotopic Mass:
336.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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