Benzeneacetic acid, a,3-dihydroxy-


Chemical Name: Benzeneacetic acid, a,3-dihydroxy-
CAS Number: 17119-15-2
Product Number: AG003JKI(AGN-PC-0Q9V8E)
Synonyms:
MDL No:
Molecular Formula: C8H8O4
Molecular Weight: 168.1467

Identification/Properties


Properties
MP:
128-132°C
BP:
424.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
168.148g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
168.042g/mol
Monoisotopic Mass:
168.042g/mol
Topological Polar Surface Area:
77.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
168
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-H312-H332
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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