Benzoic acid, 3-hydroxy-5-methyl-, methyl ester


Chemical Name: Benzoic acid, 3-hydroxy-5-methyl-, methyl ester
CAS Number: 2615-71-6
Product Number: AG002RV8(AGN-PC-000Y92)
Synonyms:
MDL No:
Molecular Formula: C9H10O3
Molecular Weight: 166.1739

Identification/Properties


Computed Properties
Molecular Weight:
166.176g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
166.063g/mol
Monoisotopic Mass:
166.063g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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