Benzoic acid, 3-methyl-, methyl ester


Chemical Name: Benzoic acid, 3-methyl-, methyl ester
CAS Number: 99-36-5
Product Number: AG003RT1(AGN-PC-0JK835)
Synonyms:
MDL No:
Molecular Formula: C9H10O2
Molecular Weight: 150.1745

Identification/Properties


Properties
BP:
221.0°C
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.516(lit.)
Computed Properties
Molecular Weight:
150.177g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
150.068g/mol
Monoisotopic Mass:
150.068g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
143
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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