3-Hydroxy-4,5-dimethoxybenzoic acid

Catalog No: FT-0633909

CAS No: 1916-08-1

Chemical Name: 3-Hydroxy-4,5-dimethoxybenzoic acid
Molecular Formula: C9H10O5
Molecular Weight: 198.17
InChI Key: WFIBQVFJXGQICQ-UHFFFAOYSA-N
InChI: InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	197-198°C
CAS:	1916-08-1
MF:	C9H10O5
Flash_Point:	N/A
Product_Name:	3-Hydroxy-4,5-dimethoxybenzoic acid
Density:	N/A
FW:	198.17300
Bolling_Point:	N/A

Vapor_Pressure:	2.91E-06mmHg at 25°C
LogP:	1.10760
PSA:	75.99000
Molecular_Structure:	['1. Molar refractive index 4842 ', '2. Molar volume 1483 ', '3. Parachor （902K）3977 ', '4. Surface tension 516 ', '5. Dielectric constant N/A ', '6. Polarizability 1919 ', '7. Single isotope mass 198052823Da ', '8. Nominal mass 198Da ', '9. Average mass 1981727Da']
Computational_Chemistry:	['1 . XlogP 1 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 76 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 205 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
Melting_Point:	197-198°C
MF:	C9H10O5
Exact_Mass:	198.05300
FW:	198.17300
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）197-198 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，20mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,40ºC）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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 难Soluble in Water 的']

Safety_Statements:	S26-S36
Hazard_Codes:	Xi
HS_Code:	2918990090
Risk_Statements(EU):	R36/37/38:Irritating to eyes, respiratory system and skin .
WGK_Germany:	3