1,3-Benzenedimethanol, 2-hydroxy-5-methyl-


Chemical Name: 1,3-Benzenedimethanol, 2-hydroxy-5-methyl-
CAS Number: 91-04-3
Product Number: AG00330U(AGN-PC-0JK7VO)
Synonyms:
MDL No:
Molecular Formula: C9H12O3
Molecular Weight: 168.1898

Identification/Properties


Properties
MP:
128-130 °C
BP:
333.3 °C at 760 mmHg
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Refractive Index:
1.4371 (estimate)
Computed Properties
Molecular Weight:
168.192g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
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:
124
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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