Home Other Building Blocks (3AR*,8BS*,E)-3-(((R*)-4-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YLOXY)METHYLENE)-3,3A,4,8B-TETRAHYDRO-2H-INDENO[1,2-B]FURAN-2-ONE

(3AR*,8BS*,E)-3-(((R*)-4-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YLOXY)METHYLENE)-3,3A,4,8B-TETRAHYDRO-2H-INDENO[1,2-B]FURAN-2-ONE

CAS No.:
76974-79-3
Catalog Number:
AG00GAPS
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
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Product Description
Catalog Number:
AG00GAPS
Chemical Name:
(3AR*,8BS*,E)-3-(((R*)-4-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YLOXY)METHYLENE)-3,3A,4,8B-TETRAHYDRO-2H-INDENO[1,2-B]FURAN-2-ONE
CAS Number:
76974-79-3
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
MDL Number:
MFCD12405021
IUPAC Name:
(3E,3aR,8bS)-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
InChI:
InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1
InChI Key:
XHSDUVBUZOUAOQ-WJQMYRPNSA-N
SMILES:
O=C1O[C@H]2[C@@H](/C/1=C\O[C@@H]1OC(=O)C(=C1)C)Cc1c2cccc1
Properties
Complexity:
576  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Exact Mass:
298.084g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.294g/mol
Monoisotopic Mass:
298.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties