Hexanedioic acid, monomethyl ester


Chemical Name: Hexanedioic acid, monomethyl ester
CAS Number: 627-91-8
Product Number: AG0034DA(AGN-PC-0LW2NV)
Synonyms:
MDL No:
Molecular Formula: C7H12O4
Molecular Weight: 160.1678

Identification/Properties


Properties
MP:
7-9 °C(lit.)
BP:
162 °C10 mm Hg(lit.)
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.441(lit.)
Computed Properties
Molecular Weight:
160.169g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
160.074g/mol
Monoisotopic Mass:
160.074g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
141
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:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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