3-(3,5-Dimethylphenoxy)propane-1,2-diol


Chemical Name: 3-(3,5-Dimethylphenoxy)propane-1,2-diol
CAS Number: 59365-66-1
Product Number: AG00E8XE(AGN-PC-05RD43)
Synonyms:
MDL No:
Molecular Formula: C11H16O3
Molecular Weight: 196.2429

Identification/Properties


Computed Properties
Molecular Weight:
196.246g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
196.11g/mol
Monoisotopic Mass:
196.11g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
151
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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