Benzenepropanoic acid, 2-carboxy-


Chemical Name: Benzenepropanoic acid, 2-carboxy-
CAS Number: 776-79-4
Product Number: AG003I0F(AGN-PC-0JO61P)
Synonyms:
MDL No:
Molecular Formula: C10H10O4
Molecular Weight: 194.1840

Identification/Properties


Properties
MP:
166-168 °C
BP:
394.4 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
194.186g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
194.058g/mol
Monoisotopic Mass:
194.058g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
224
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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