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76713-59-2 | Spiro[4.5]decane-6-carboxaldehyde
CAS No: 76713-59-2 Catalog No: AG008PGF MDL No:
Product Description
Catalog Number:
AG008PGF
Chemical Name:
Spiro[4.5]decane-6-carboxaldehyde
CAS Number:
76713-59-2
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
spiro[4.5]decane-10-carbaldehyde
InChI:
InChI=1S/C11H18O/c12-9-10-5-1-2-6-11(10)7-3-4-8-11/h9-10H,1-8H2
InChI Key:
BSGAUFHJIHDYDU-UHFFFAOYSA-N
SMILES:
O=CC1CCCCC21CCCC2
Properties
Complexity:
168
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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