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89398-47-0 | 1H,4H-3a,8a-Methanoazulen-1-one, hexahydro-
CAS No: 89398-47-0 Catalog No: AG003W9D MDL No:
Product Description
Catalog Number:
AG003W9D
Chemical Name:
1H,4H-3a,8a-Methanoazulen-1-one, hexahydro-
CAS Number:
89398-47-0
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
tricyclo[5.3.1.01,7]undecan-8-one
InChI:
InChI=1S/C11H16O/c12-9-4-7-10-5-2-1-3-6-11(9,10)8-10/h1-8H2
InChI Key:
WTMXXBBMNDLFNZ-UHFFFAOYSA-N
SMILES:
O=C1CCC23C1(CCCCC3)C2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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