Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,3-Isobenzofurandione,5-hydroxy- |
EINECS | N/A |
CAS No. | 27550-59-0 | Density | 1.625 g/cm3 |
PSA | 63.60000 | LogP | 0.70280 |
Solubility | N/A | Melting Point |
171-173 °C(Solv: acetic acid (64-19-7)) |
Formula | C8H4O4 | Boiling Point | 407.8 °C at 760 mmHg |
Molecular Weight | 164.117 | Flash Point | 179.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-HYDROXYPHTHALIC ANHYDRIDE;5-hydroxyisobenzofuran-1,3-dione |
Article Data | 22 |
The CAS registry number of 1,3-Isobenzofurandione,5-hydroxy- is 27550-59-0. This chemical's molecular formula is C8H4O4 and molecular weight is 164.115. What's more, its systematic name is 5-Hydroxy-2-benzofuran-1,3-dione.
Physical properties about 1,3-Isobenzofurandione,5-hydroxy- are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 2.44; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 64.18; (8)ACD/KOC (pH 7.4): 8.25; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 37.56 cm3; (15)Molar Volume: 100.9 cm3; (16)Polarizability: 14.89×10-24 cm3; (17)Surface Tension: 76.1 dyne/cm; (18)Density: 1.625 g/cm3; (19)Flash Point: 179.4 °C; (20)Enthalpy of Vaporization: 68.54 kJ/mol; (21)Boiling Point: 407.8 °C at 760 mmHg; (22)Vapour Pressure: 3.11E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(=O)c2cc(O)ccc12
(2) InChI: InChI=1/C8H4O4/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,9H
(3) InChIKey: PXHIYFMTRHEUHZ-UHFFFAOYAC