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16189-47-2 | Azulene, decahydro-, trans- (8CI,9CI)
CAS No: 16189-47-2 Catalog No: AG001VZ3 MDL No:
Product Description
Catalog Number:
AG001VZ3
Chemical Name:
Azulene, decahydro-, trans- (8CI,9CI)
CAS Number:
16189-47-2
Molecular Formula:
C10H18
Molecular Weight:
138.2499
IUPAC Name:
(3aS,8aS)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
InChI:
InChI=1S/C10H18/c1-2-5-9-7-4-8-10(9)6-3-1/h9-10H,1-8H2/t9-,10-/m0/s1
InChI Key:
ODJQFZXHKPCJMD-UWVGGRQHSA-N
SMILES:
C1CC[C@@H]2[C@@H](CC1)CCC2
Properties
Complexity:
94.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
138.141g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.254g/mol
Monoisotopic Mass:
138.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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