Benzenepropanoic acid, 3,4-dihydroxy-


Chemical Name: Benzenepropanoic acid, 3,4-dihydroxy-
CAS Number: 1078-61-1
Product Number: AG003I1R(AGN-PC-0JMIQF)
Synonyms:
MDL No:
Molecular Formula: C9H10O4
Molecular Weight: 182.1733

Identification/Properties


Properties
MP:
136-139 °C(lit.)
BP:
418℃
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
182.175g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
182.058g/mol
Monoisotopic Mass:
182.058g/mol
Topological Polar Surface Area:
77.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
181
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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