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19780-79-1 | 1-Octanol, 2-hexyl-
CAS No: 19780-79-1 Catalog No: AG002B1W MDL No:MFCD00046769
Product Description
Catalog Number:
AG002B1W
Chemical Name:
1-Octanol, 2-hexyl-
CAS Number:
19780-79-1
Molecular Formula:
C14H30O
Molecular Weight:
214.3874
MDL Number:
MFCD00046769
IUPAC Name:
2-hexyloctan-1-ol
InChI:
InChI=1S/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3
InChI Key:
QNMCWJOEQBZQHB-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCCCCC)CO
EC Number:
606-381-5
UNII:
5D8007Z3JI
Properties
Complexity:
99.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.23g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.393g/mol
Monoisotopic Mass:
214.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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