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1459-36-5

1459-36-5 | Cyclooctanecarboxaldehyde, 2-oxo-

CAS No: 1459-36-5 Catalog No: AG006U1U MDL No:

Product Description

Catalog Number:
AG006U1U
Chemical Name:
Cyclooctanecarboxaldehyde, 2-oxo-
CAS Number:
1459-36-5
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
2-oxocyclooctane-1-carbaldehyde
InChI:
InChI=1S/C9H14O2/c10-7-8-5-3-1-2-4-6-9(8)11/h7-8H,1-6H2
InChI Key:
JLBJRDOCQMOOJJ-UHFFFAOYSA-N
SMILES:
O=CC1CCCCCCC1=O

Properties

Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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