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87842-59-9 | 1(2H)-Azulenone, octahydro-8a-methyl-, cis-
CAS No: 87842-59-9 Catalog No: AG004ELM MDL No:
Product Description
Catalog Number:
AG004ELM
Chemical Name:
1(2H)-Azulenone, octahydro-8a-methyl-, cis-
CAS Number:
87842-59-9
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
(3aS,8aS)-8a-methyl-2,3,3a,4,5,6,7,8-octahydroazulen-1-one
InChI:
InChI=1S/C11H18O/c1-11-8-4-2-3-5-9(11)6-7-10(11)12/h9H,2-8H2,1H3/t9-,11-/m0/s1
InChI Key:
AZRXOBVHSGBOQA-ONGXEEELSA-N
SMILES:
O=C1CC[C@H]2[C@]1(C)CCCCC2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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