Benzoic acid, 4-hydroxy-2,3-dimethyl-, methyl ester


Chemical Name: Benzoic acid, 4-hydroxy-2,3-dimethyl-, methyl ester
CAS Number: 5628-56-8
Product Number: AG003RVH(AGN-PC-002N47)
Synonyms:
MDL No:
Molecular Formula: C10H12O3
Molecular Weight: 180.2005

Identification/Properties


Computed Properties
Molecular Weight:
180.203g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
180.079g/mol
Monoisotopic Mass:
180.079g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
191
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#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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