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17597-96-5 | Acetaldehyde, 2-(hexyloxy)-
CAS No: 17597-96-5 Catalog No: AG0021BM MDL No:
Product Description
Catalog Number:
AG0021BM
Chemical Name:
Acetaldehyde, 2-(hexyloxy)-
CAS Number:
17597-96-5
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
2-hexoxyacetaldehyde
InChI:
InChI=1S/C8H16O2/c1-2-3-4-5-7-10-8-6-9/h6H,2-5,7-8H2,1H3
InChI Key:
NNBJGVGKBIFRHE-UHFFFAOYSA-N
SMILES:
CCCCCCOCC=O
EC Number:
241-565-5
Properties
Complexity:
71.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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