Pentanedioic acid, 3,3-dimethyl-


Chemical Name: Pentanedioic acid, 3,3-dimethyl-
CAS Number: 4839-46-7
Product Number: AG003IDI(AGN-PC-0JKFM5)
Synonyms:
MDL No:
Molecular Formula: C7H12O4
Molecular Weight: 160.1678

Identification/Properties


Properties
MP:
100-102 °C(lit.)
BP:
300.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4336 (estimate)
Computed Properties
Molecular Weight:
160.169g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
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:
153
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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