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Home > Other Heterocycles > 67634-04-2
67634-04-2 | 6,9a-dimethyl-4,5,6,6a,9a,9b-hexahydrospiro[azuleno[4,5-b]furan-3,2'-oxirane]-2,9(3ah)-dione
CAS No: 67634-04-2 Catalog No: AG006M6X MDL No:
Product Description
Catalog Number:
AG006M6X
Chemical Name:
6,9a-dimethyl-4,5,6,6a,9a,9b-hexahydrospiro[azuleno[4,5-b]furan-3,2'-oxirane]-2,9(3ah)-dione
CAS Number:
67634-04-2
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
2,2-bis(3,7-dimethyloct-6-enoxy)ethylbenzene
InChI:
InChI=1S/C28H46O2/c1-23(2)12-10-14-25(5)18-20-29-28(22-27-16-8-7-9-17-27)30-21-19-26(6)15-11-13-24(3)4/h7-9,12-13,16-17,25-26,28H,10-11,14-15,18-22H2,1-6H3
InChI Key:
UZCGMNMYZDLKDA-UHFFFAOYSA-N
SMILES:
CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C12CO1
EC Number:
266-807-7
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.35g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.674g/mol
Monoisotopic Mass:
414.35g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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