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Home > Aldehydes > 104514-67-2
104514-67-2 | 2-Oxocanecarboxaldehyde, 8-pentyl-, cis-
CAS No: 104514-67-2 Catalog No: AG007HJ6 MDL No:
Product Description
Catalog Number:
AG007HJ6
Chemical Name:
2-Oxocanecarboxaldehyde, 8-pentyl-, cis-
CAS Number:
104514-67-2
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
8-pentyloxocane-2-carbaldehyde
InChI:
InChI=1S/C13H24O2/c1-2-3-5-8-12-9-6-4-7-10-13(11-14)15-12/h11-13H,2-10H2,1H3
InChI Key:
LSFBLSWSRGFPKL-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1CCCCC[C@@H](O1)C=O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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