Benzenepropanoic acid, 2,4-dihydroxy-, methyl ester


Chemical Name: Benzenepropanoic acid, 2,4-dihydroxy-, methyl ester
CAS Number: 17422-90-1
Product Number: AG001ZJI(AGN-PC-0NHTOD)
Synonyms:
MDL No:
Molecular Formula: C10H12O4
Molecular Weight: 196.1999

Identification/Properties


Computed Properties
Molecular Weight:
196.202g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
196.074g/mol
Monoisotopic Mass:
196.074g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
193
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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