Heptanoic acid, methyl-


Chemical Name: Heptanoic acid, methyl-
CAS Number: 1188-02-9
Product Number: AG003HPE(AGN-PC-0JKBRD)
Synonyms:
MDL No:
Molecular Formula: C8H16O2
Molecular Weight: 144.2114

Identification/Properties


Properties
BP:
140°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.425(lit.)
Computed Properties
Molecular Weight:
144.214g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
144.115g/mol
Monoisotopic Mass:
144.115g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
99.4
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:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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