Heptanedioic acid, 4-oxo-


Chemical Name: Heptanedioic acid, 4-oxo-
CAS Number: 502-50-1
Product Number: AG003434(AGN-PC-0JM12W)
Synonyms:
MDL No:
Molecular Formula: C7H10O5
Molecular Weight: 174.1513

Identification/Properties


Properties
MP:
142-144 °C(lit.)
BP:
225.11°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4400 (estimate)
Computed Properties
Molecular Weight:
174.152g/mol
XLogP3:
-1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
174.053g/mol
Monoisotopic Mass:
174.053g/mol
Topological Polar Surface Area:
91.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
176
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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