Benzeneacetic acid, 3,4-dihydroxy-


Chemical Name: Benzeneacetic acid, 3,4-dihydroxy-
CAS Number: 102-32-9
Product Number: AG00068W(AGN-PC-07Y4J0)
Synonyms:
MDL No:
Molecular Formula: C8H8O4
Molecular Weight: 168.1467

Identification/Properties


Properties
MP:
127-130 °C
BP:
418.4 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5090 (estimate)
Solubility:
water: soluble50mg/mL, clear, almost colorless
Computed Properties
Molecular Weight:
168.148g/mol
XLogP3:
0.5
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:
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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