o-Tolylacetic Acid


Chemical Name: o-Tolylacetic Acid
CAS Number: 644-36-0
Product Number: AG003HQ7(AGN-PC-0WAER3)
Synonyms:
MDL No:
Molecular Formula: C9H10O2
Molecular Weight: 150.1745

Identification/Properties


Properties
MP:
88-90 °C(lit.)
BP:
279.3 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5470 (estimate)
Computed Properties
Molecular Weight:
150.177g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
150.068g/mol
Monoisotopic Mass:
150.068g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
143
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#:
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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