Pentanedioic acid, 3-hydroxy-3-methyl-


Chemical Name: Pentanedioic acid, 3-hydroxy-3-methyl-
CAS Number: 503-49-1
Product Number: AG00I90Y(AGN-PC-0JK5Y6)
Synonyms:
MDL No:
Molecular Formula: C6H10O5
Molecular Weight: 162.1406

Identification/Properties


Properties
MP:
105-108 °C(lit.)
BP:
414.3°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Refractive Index:
1.4230 (estimate)
Computed Properties
Molecular Weight:
162.141g/mol
XLogP3:
-1.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
162.053g/mol
Monoisotopic Mass:
162.053g/mol
Topological Polar Surface Area:
94.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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