1,3,5-BENZENETRIMETHANOL


Chemical Name: 1,3,5-BENZENETRIMETHANOL
CAS Number: 4464-18-0
Product Number: AG003DG5(AGN-PC-0WA437)
Synonyms:
MDL No:
Molecular Formula: C9H12O3
Molecular Weight: 168.1898

Identification/Properties


Properties
MP:
76.0 to 80.0 °C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
168.192g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
168.079g/mol
Monoisotopic Mass:
168.079g/mol
Topological Polar Surface Area:
60.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
91.2
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
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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