Basic Information | Post buying leads | Suppliers |
Name |
2H-1,5-Benzodioxepin-2-carboxylicacid, 3,4-dihydro- |
EINECS | N/A |
CAS No. | 33632-74-5 | Density | 1.306 g/cm3 |
PSA | 55.76000 | LogP | 1.30110 |
Solubility | N/A | Melting Point |
146-150 °C |
Formula | C10H10O4 | Boiling Point | 351 °C at 760 mmHg |
Molecular Weight | 194.187 | Flash Point | 142.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 41 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,4-Dihydro-2H-Benzo[b][1,4]Dioxepine-2-Carboxylic Acid;3,4-Dihydro-2H-1,5-benzodioxapin-7-carboxylic acid; |
The CAS register number of 2H-1,5-Benzodioxepin-2-carboxylicacid, 3,4-dihydro- is 33632-74-5. It also can be called as 3,4-Dihydro-2H-Benzo[b][1,4]Dioxepine-2-Carboxylic Acid and the systematic name about this chemical is 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid. The molecular formula about this chemical is C10H10O4 and the molecular weight is 194.18.
Physical properties about 2H-1,5-Benzodioxepin-2-carboxylicacid, 3,4-dihydro- are: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 1.16; (3)ACD/LogD (pH 7.4): -0.47; (4)ACD/BCF (pH 5.5): 2.36; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.21; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 44.76 Å2; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 48.56 cm3; (14)Molar Volume: 148.6 cm3; (15)Polarizability: 19.25x10-24cm3; (16)Surface Tension: 55 dyne/cm; (17)Density: 1.306 g/cm3; (18)Flash Point: 142.7 °C; (19)Enthalpy of Vaporization: 62.86 kJ/mol; (20)Boiling Point: 351 °C at 760 mmHg; (21)Vapour Pressure: 1.58E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc1OCCCOc1cc2
(2)InChI: InChI=1/C10H10O4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2,(H,11,12)
(3)InChIKey: MQSSBVLREFSMDP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H10O4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2,(H,11,12)
(5)Std. InChIKey: MQSSBVLREFSMDP-UHFFFAOYSA-N