Molecule structure of 3-Hydroxy-4,5-dimethoxybenzoic acid (CAS NO.1916-08-1):
IUPAC Name: 3-Hydroxy-4,5-dimethoxybenzoic acid
Molecular Weight: 198.1727 [g/mol]
Molecular Formula: C9H10O5
Index of Refraction: 1.566
Molar Refractivity: 48.42 cm3
Molar Volume: 148.3 cm3
Surface Tension: 51.6 dyne/cm
Density: 1.335 g/cm3
Melting Point: 197-198 °C
Flash Point: 152.6 °C
Enthalpy of Vaporization: 65.57 kJ/mol
Boiling Point: 374.2 °C at 760 mmHg
Vapour Pressure: 2.91E-06 mmHg at 25 °C
XLogP3: 1
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 198.052823
MonoIsotopic Mass: 198.052823
Topological Polar Surface Area: 76
Heavy Atom Count: 14
Canonical SMILES: COC1=CC(=CC(=C1OC)O)C(=O)O
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)
InChIKey: WFIBQVFJXGQICQ-UHFFFAOYSA-N
EINECS: 217-630-9
Product Categories of 3-Hydroxy-4,5-dimethoxybenzoic acid (CAS NO.1916-08-1): Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
3-Hydroxy-4,5-dimethoxybenzoic acid (CAS NO.1916-08-1) is also named as 3,4-Dimethoxy-5-hydroxybenzoic acid ; Benzoic acid, 3-hydroxy-4,5-dimethoxy- ; 3,4-Dimethoxy-5-hydroxy benzoic acid ; 3-Hydroxy-4,5-dimethoxy-benzoic acid ; 5-Hydroxy-3,4-Dimethoxybenzoic Acid ; 5-Hydroxyveratric acid .
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