Benzoic acid, methyl-


Chemical Name: Benzoic acid, methyl-
CAS Number: 118-90-1
Product Number: AG0035FR(AGN-PC-0JK8IL)
Synonyms:
MDL No:
Molecular Formula: C8H8O2
Molecular Weight: 136.1479

Identification/Properties


Properties
MP:
102-104 °C
BP:
258-259°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.512
Solubility:
1.2g/l
Computed Properties
Molecular Weight:
136.15g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
136.052g/mol
Monoisotopic Mass:
136.052g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
131
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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