1,3-Benzodioxole-5-carboxaldehyde,oxime, [C(E)]- supplier

Name
1,3-Benzodioxole-5-carboxaldehyde,oxime, [C(E)]-
EINECS
CAS No. 20747-41-5
Article Data23
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point
Formula C₈H₇NO₃
Boiling Point 279.8 °C at 760 mmHg
Molecular Weight 165.148
Flash Point 123 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Benzodioxole-5-carboxaldehyde,oxime, (E)- (9CI);Piperonal, oxime, (E)- (8CI);(E)-1,3-Benzodioxole-5-carboxaldehydeoxime;(E)-Piperonal oxime;NSC 79;
PSA 51.05000
LogP 1.22340

1,3-Benzodioxole-5-carboxaldehyde,oxime, [C(E)]- Specification

The 1,3-Benzodioxole-5-carboxaldehyde,oxime, [C(E)]-, with the CAS registry number 20747-41-5, is also known as Piperonaldoxime. This chemical's molecular formula is C₈H₇NO₃ and molecular weight is 165.15. What's more, its systematic name is 1,3-Benzodioxole-5-carbaldehyde oxime.

Physical properties of 1,3-Benzodioxole-5-carboxaldehyde,oxime, [C(E)]- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.64; (6)ACD/BCF (pH 7.4): 17.63; (7)ACD/KOC (pH 5.5): 271.53; (8)ACD/KOC (pH 7.4): 271.37; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.05 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 40.99 cm³; (15)Molar Volume: 119.2 cm³; (16)Polarizability: 16.25×10^-24cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.38 g/cm³; (19)Flash Point: 123 °C; (20)Enthalpy of Vaporization: 54.77 kJ/mol; (21)Boiling Point: 279.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00187 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=NO
(2)InChI: InChI=1S/C8H7NO3/c10-9-4-6-1-2-7-8(3-6)12-5-11-7/h1-4,10H,5H2/b9-4+
(3)InChIKey: VDAJDWUTRXNYMU-RUDMXATFSA-N

Product Name

1,3-Benzodioxole-5-carboxaldehyde,oxime, [C(E)]-

1,3-Benzodioxole-5-carboxaldehyde,oxime, [C(E)]- Specification

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