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68039-35-0 | Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-
CAS No: 68039-35-0 Catalog No: AG006GE1 MDL No:
Product Description
Catalog Number:
AG006GE1
Chemical Name:
Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-
CAS Number:
68039-35-0
Molecular Formula:
C17H26O
Molecular Weight:
246.3877
IUPAC Name:
1-(2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl)ethanone
InChI:
InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3
InChI Key:
YBUIAJZFOGJGLJ-UHFFFAOYSA-N
SMILES:
CC(=O)C1=C(C)C2CC3(C1)C(C)CCC3C2(C)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.198g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.394g/mol
Monoisotopic Mass:
246.198g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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