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1372558-34-3 | Naphtho[2,3-b]furan-2,7-dione, 4,4a,8,8a,9,9a-hexahydro-3,5,8a-trimethyl-, (4aR,8aS,9aS)-
CAS No: 1372558-34-3 Catalog No: AG001307 MDL No:
Product Description
Catalog Number:
AG001307
Chemical Name:
Naphtho[2,3-b]furan-2,7-dione, 4,4a,8,8a,9,9a-hexahydro-3,5,8a-trimethyl-, (4aR,8aS,9aS)-
CAS Number:
1372558-34-3
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
3,5,8a-trimethyl-4a,8,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2,7-dione
InChI:
InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,12-13H,5-7H2,1-3H3
InChI Key:
HVQUXKMKKKGSSD-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)[C@H]2[C@@](C1)(C)C[C@H]1C(=C(C(=O)O1)C)C2
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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