alpha-Cyclopentylmandelic Acid


Chemical Name: alpha-Cyclopentylmandelic Acid
CAS Number: 427-49-6
Product Number: AG003NS3(AGN-PC-0WACFK)
Synonyms:
MDL No:
Molecular Formula: C13H16O3
Molecular Weight: 220.2643

Identification/Properties


Properties
MP:
144-150 °C
BP:
395.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
220.268g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
220.11g/mol
Monoisotopic Mass:
220.11g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
252
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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