1-Heptanol, 5-methyl-, (5S)-


Chemical Name: 1-Heptanol, 5-methyl-, (5S)-
CAS Number: 57803-73-3
Product Number: AG003CHJ(AGN-PC-0OCMP7)
Synonyms:
MDL No:
Molecular Formula: C8H18O
Molecular Weight: 130.2279

Identification/Properties


Properties
BP:
84 °C / 10mmHg
Storage:
Room Temperature;
Refractive Index:
1.4290 to 1.4320
Computed Properties
Molecular Weight:
130.231g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
130.136g/mol
Monoisotopic Mass:
130.136g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
52.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H227-H302
Precautionary Statements:
P501-P210-P280-P370+P378-P403+P235
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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