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885-23-4

Basic Information
CAS No.: 885-23-4
Name: 9-acridinecarboxaldehyde
Article Data: 4
Molecular Structure:
Molecular Structure of 885-23-4 (9-acridinecarboxaldehyde)
Formula: C14H9NO
Molecular Weight: 207.232
Synonyms: Acridine, 9-formyl-;9-Acridinecarboxaldehyde;9-Formylacridine;9-Acridinealdehyde;acridine-9-carbaldehyde;9-Acridine carboxaldehyde;9-acridinecarbaldehyde;9-acridinecarbaldehyde (IM OCS);
Density: 1.274g/cm3
Melting Point: 144-149°C
Boiling Point: 416.4 °C at 760 mmHg
Flash Point: 211.7 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 29.96000
LogP: 3.20050
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Specification

The 9-Acridinecarboxaldehyde (8CI)(9CI), with CAS registry number 885-23-4, has the systematic name of acridine-9-carbaldehyde. Besides this, it is also called Acridine, 9-formyl-. Its molecular weight is 207.2274. And the chemical formula of this chemical is C14H9NO.

Physical properties of 9-Acridinecarboxaldehyde (8CI)(9CI): (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.57; (6)ACD/BCF (pH 7.4): 82.12; (7)ACD/KOC (pH 5.5): 811; (8)ACD/KOC (pH 7.4): 816.5; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.758; (14)Molar Refractivity: 66.78 cm3; (15)Molar Volume: 162.5 cm3; (16)Polarizability: 26.47×10-24cm3; (17)Surface Tension: 60.9 dyne/cm; (18)Density: 1.274 g/cm3; (19)Flash Point: 211.7 °C; (20)Enthalpy of Vaporization: 66.96 kJ/mol; (21)Boiling Point: 416.4 °C at 760 mmHg; (22)Vapour Pressure: 3.84E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c3c(nc2c1cccc2)cccc3
(2)InChI: InChI=1/C14H9NO/c16-9-12-10-5-1-3-7-13(10)15-14-8-4-2-6-11(12)14/h1-9H
(3)InChIKey: ISOCABSXIKQOOV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C14H9NO/c16-9-12-10-5-1-3-7-13(10)15-14-8-4-2-6-11(12)14/h1-9H
(5)Std. InChIKey: ISOCABSXIKQOOV-UHFFFAOYSA-N