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2H-1,5-Benzodioxepin-2-carboxylicacid, 3,4-dihydro-

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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 Molecular Structure of 33632-74-5 (3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBOXYLIC ACID) 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;

 

2H-1,5-Benzodioxepin-2-carboxylicacid, 3,4-dihydro- Specification

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

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