Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	4.14	-37.17	0	3	-1	49	183.105	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.61	5.13	-9.86	0	3	0	43	184.113	5	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Melting_Point	30?	Alfa-Aesar
Melting_Point	30°	Alfa-Aesar
Mp [°C]	39	Acros Organics
Boiling_Point	129-130?	Alfa-Aesar
Boiling_Point	129-130°	Alfa-Aesar
BP [°C]	131 (p=709 torr)	Acros Organics
BP	132	TCI
Purity	98%	Fluorochem
Purity	99%	Matrix Scientific
Warnings	Flammable	Matrix Scientific
H phrase	H302: Harmful if swallowed	Acros Organics
H phrase	H302: Harmful if swallowed; H226: Flammable liquid and vapor; H412: Harmful to aquatic life with long lasting effects	Acros Organics
Warnings	IRRITANT, FLAMMABLE	Matrix Scientific
Notes	J. Chem. Soc., Chem. Commun., 83 (1989): a report on the different factors efffecting C- vs O- alkylation.	Apollo Scientific
P phrase	P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell	Acros Organics
P phrase	P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P273: Avoid release to the environment	Acros Organics
R phrase	R10: Flammable.	Acros Organics
R phrase	R10: Flammable.; R22: Harmful if swallowed.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.	Acros Organics
S phrase	S16: Keep away from sources of ignition - No smoking.	Acros Organics
Hazard	XN: Harmful	Acros Organics

No pre-computed analogs available. Try a structural similarity search.