1,3-Benzenedimethanol


Chemical Name: 1,3-Benzenedimethanol
CAS Number: 626-18-6
Product Number: AG003DH0(AGN-PC-0JL8ZD)
Synonyms:
MDL No:
Molecular Formula: C8H10O2
Molecular Weight: 138.1638

Identification/Properties


Properties
MP:
56-60 °C(lit.)
BP:
282.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.5090 (estimate)
Computed Properties
Molecular Weight:
138.166g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
138.068g/mol
Monoisotopic Mass:
138.068g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
83.3
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#:
N/A
Hazard Statements:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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