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19781-28-3 | 4-Octanol, 3-ethyl-
CAS No: 19781-28-3 Catalog No: AG002B2P MDL No:
Product Description
Catalog Number:
AG002B2P
Chemical Name:
4-Octanol, 3-ethyl-
CAS Number:
19781-28-3
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
IUPAC Name:
3-ethyloctan-4-ol
InChI:
InChI=1S/C10H22O/c1-4-7-8-10(11)9(5-2)6-3/h9-11H,4-8H2,1-3H3
InChI Key:
WXJDPIWUPZLVSF-UHFFFAOYSA-N
SMILES:
CCCCC(C(CC)CC)O
Properties
Complexity:
76.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.167g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.285g/mol
Monoisotopic Mass:
158.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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