Heptanedioic acid


Chemical Name: Heptanedioic acid
CAS Number: 111-16-0
Product Number: AG003TSD(AGN-PC-0BYXWH)
Synonyms:
MDL No:
Molecular Formula: C7H12O4
Molecular Weight: 160.1678

Identification/Properties


Properties
MP:
103-105 °C
BP:
212°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4352 (estimate)
Solubility:
ethanol: 0.1 g/mL, clear to very faintly hazy
Computed Properties
Molecular Weight:
160.169g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
160.074g/mol
Monoisotopic Mass:
160.074g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
125
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


NMR Spectrum


Other Analytical Data


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