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Home > Other Heterocycles > 1781-81-3
1781-81-3 | Spiro[5.5]undecan-2-one
CAS No: 1781-81-3 Catalog No: AG0025RZ MDL No:MFCD00090150
Product Description
Catalog Number:
AG0025RZ
Chemical Name:
Spiro[5.5]undecan-2-one
CAS Number:
1781-81-3
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
MDL Number:
MFCD00090150
IUPAC Name:
spiro[5.5]undecan-4-one
InChI:
InChI=1S/C11H18O/c12-10-5-4-8-11(9-10)6-2-1-3-7-11/h1-9H2
InChI Key:
FEYUTRZPSFLEST-UHFFFAOYSA-N
SMILES:
O=C1CCCC2(C1)CCCCC2
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3.2
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