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19780-78-0 | 2-Octanol, 4-ethyl-
CAS No: 19780-78-0 Catalog No: AG002B1X MDL No:
Product Description
Catalog Number:
AG002B1X
Chemical Name:
2-Octanol, 4-ethyl-
CAS Number:
19780-78-0
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
IUPAC Name:
4-ethyloctan-2-ol
InChI:
InChI=1S/C10H22O/c1-4-6-7-10(5-2)8-9(3)11/h9-11H,4-8H2,1-3H3
InChI Key:
GVKBTEISGUWZEJ-UHFFFAOYSA-N
SMILES:
CCCCC(CC(O)C)CC
Properties
Complexity:
80.9
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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