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115321-32-9 | 3H-Furo[3',4':3,4]cyclohept[1,2-f]isobenzofuran-3,10(1H)-dione, 8-(3-furanyl)-4,8-dihydro-7-methyl-, (8R)-
CAS No: 115321-32-9 Catalog No: AG000GLN MDL No:MFCD20260367
Product Description
Catalog Number:
AG000GLN
Chemical Name:
3H-Furo[3',4':3,4]cyclohept[1,2-f]isobenzofuran-3,10(1H)-dione, 8-(3-furanyl)-4,8-dihydro-7-methyl-, (8R)-
CAS Number:
115321-32-9
Molecular Formula:
C20H14O5
Molecular Weight:
334.3222
MDL Number:
MFCD20260367
IUPAC Name:
(13R)-13-(furan-3-yl)-11-methyl-4,14-dioxatetracyclo[8.7.0.02,6.012,16]heptadeca-1(17),2(6),8,10,12(16)-pentaene-5,15-dione
InChI:
InChI=1S/C20H14O5/c1-10-12-3-2-4-13-16(9-24-19(13)21)14(12)7-15-17(10)18(25-20(15)22)11-5-6-23-8-11/h2-3,5-8,18H,4,9H2,1H3/t18-/m0/s1
InChI Key:
HIBSGIRHUQGFAD-SFHVURJKSA-N
SMILES:
O=C1OCC2=C1CC=Cc1c2cc2C(=O)O[C@H](c2c1C)c1cocc1
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
334.084g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.327g/mol
Monoisotopic Mass:
334.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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