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161974-03-4 | 2-Hexanone, 3-ethoxy-
CAS No: 161974-03-4 Catalog No: AG001SKO MDL No:
Product Description
Catalog Number:
AG001SKO
Chemical Name:
2-Hexanone, 3-ethoxy-
CAS Number:
161974-03-4
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
3-ethoxyhexan-2-one
InChI:
InChI=1S/C8H16O2/c1-4-6-8(7(3)9)10-5-2/h8H,4-6H2,1-3H3
InChI Key:
PMLQQFUMAMPEQP-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)C)OCC
Properties
Complexity:
99.4
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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