Benzenepropanoic acid, b-methyl-


Chemical Name: Benzenepropanoic acid, b-methyl-
CAS Number: 4593-90-2
Product Number: AG003JVM(AGN-PC-0RU6D1)
Synonyms:
MDL No:
Molecular Formula: C10H12O2
Molecular Weight: 164.2011

Identification/Properties


Properties
MP:
35-38 °C(lit.)
BP:
288°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5160 (estimate)
Computed Properties
Molecular Weight:
164.204g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
164.084g/mol
Monoisotopic Mass:
164.084g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
148
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-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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