Octanedioic acid, monomethyl ester


Chemical Name: Octanedioic acid, monomethyl ester
CAS Number: 3946-32-5
Product Number: AG0035MH(AGN-PC-0LW6E2)
Synonyms:
MDL No:
Molecular Formula: C9H16O4
Molecular Weight: 188.2209

Identification/Properties


Properties
MP:
17-19 °C(lit.);
BP:
303.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.444(lit.)
Computed Properties
Molecular Weight:
188.223g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
8
Exact Mass:
188.105g/mol
Monoisotopic Mass:
188.105g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
165
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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