1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-


Chemical Name: 1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-
CAS Number: 500-38-9
Product Number: AG003TAG(AGN-PC-075GS5)
Synonyms:
MDL No:
Molecular Formula: C18H22O4
Molecular Weight: 302.3649

Identification/Properties


Properties
MP:
182-187 °C
BP:
363.4°C (rough estimate)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4230 (estimate)
Computed Properties
Molecular Weight:
302.37g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
302.152g/mol
Monoisotopic Mass:
302.152g/mol
Topological Polar Surface Area:
80.9A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
303
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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
Precautionary Statements:
P301+P312+P330
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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