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1372558-33-2 | Naphtho[2,3-b]furan-2,7-dione, 4,4a,8,8a-tetrahydro-3,5,8a-trimethyl-, (4aS,8aS)-
CAS No: 1372558-33-2 Catalog No: AG001308 MDL No:
Product Description
Catalog Number:
AG001308
Chemical Name:
Naphtho[2,3-b]furan-2,7-dione, 4,4a,8,8a-tetrahydro-3,5,8a-trimethyl-, (4aS,8aS)-
CAS Number:
1372558-33-2
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
(4aS,8aS)-3,5,8a-trimethyl-4a,8-dihydro-4H-benzo[f][1]benzofuran-2,7-dione
InChI:
InChI=1S/C15H16O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,7,12H,5-6H2,1-3H3/t12-,15+/m0/s1
InChI Key:
HCWOSGGWMYYACF-SWLSCSKDSA-N
SMILES:
O=C1C=C(C)[C@H]2[C@@](C1)(C)C=C1C(=C(C(=O)O1)C)C2
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
244.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.29g/mol
Monoisotopic Mass:
244.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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