Heptanol, methyl-


Chemical Name: Heptanol, methyl-
CAS Number: 123-96-6
Product Number: AG000JXK(AGN-PC-0JKF2K)
Synonyms:
MDL No:
Molecular Formula: C8H18O
Molecular Weight: 130.2279

Identification/Properties


Computed Properties
Molecular Weight:
130.231g/mol
XLogP3:
2.9
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:
0
Undefined Atom Stereocenter Count:
1
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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