Molecular Formula: 176.13
Formula Weight: C5H8N2O5
Inchl Key: QVKQQLYSTODTJN-UHFFFAOYSA-N
Inchl: InChI=1S/C5H6N2O4.H2O/c6-4(5(9)10)2-1-3(8)7-11-2;/h1,4H,6H2,(H,7,8)(H,9,10);1H2

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	148-151ºC
CAS:	60573-88-8
MF:	C5H8N2O5
Flash_Point:	N/A
Product_Name:	(‘±)-Ibotenic acid monohydrate
Density:	1.621g/cm3
FW:	176.12700
Bolling_Point:	N/A

Melting_Point:	148-151ºC
Refractive_Index:	1.588
MF:	C5H8N2O5
Exact_Mass:	176.04300
FW:	176.12700
PSA:	118.55000
Density:	1.621g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/cm3 20ºC ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）148-151 ', '5 . Boiling point（ºC，80mmHg）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（°）Unknow ', '8 . Flash point（℉）Unknow ', '9 . Specific rotation（º，c=neat ）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL)NH4OH 50']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 103 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :235 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']