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1461-34-3 | Azuleno[6,5-b]furan-2(3H)-one, 3a,4,4a,5,6,7,9,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-, (3aR,4aR,5R,9aR)-
CAS No: 1461-34-3 Catalog No: AG001DOS MDL No:
Product Description
Catalog Number:
AG001DOS
Chemical Name:
Azuleno[6,5-b]furan-2(3H)-one, 3a,4,4a,5,6,7,9,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-, (3aR,4aR,5R,9aR)-
CAS Number:
1461-34-3
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
(3aR,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
InChI:
InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15-/m1/s1
InChI Key:
CLYBLORMANTURF-RGCMKSIDSA-N
SMILES:
O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1C(=C(C2)C)CC[C@@]1(C)O
NSC Number:
85243
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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