1,4-Cyclohexadiene-1-acetic acid, a-amino-, (aR)-


Chemical Name: 1,4-Cyclohexadiene-1-acetic acid, a-amino-, (aR)-
CAS Number: 26774-88-9
Product Number: AG003C2H(AGN-PC-0R2Q23)
Synonyms:
MDL No:
Molecular Formula: C8H11NO2
Molecular Weight: 153.1784

Identification/Properties


Properties
MP:
280 °C (dec.)(lit.)
BP:
279.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
-155 ° (C=1, 1mol/L HCl)
Computed Properties
Molecular Weight:
153.181g/mol
XLogP3:
-1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
153.079g/mol
Monoisotopic Mass:
153.079g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
218
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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