Chemical Properties of 9(10H)-Acridinone, 1-hydroxy-2,3,4-trimethoxy-10-methyl- (CAS 7008-68-6)

InChI

InChI=1S/C17H17NO5/c1-18-10-8-6-5-7-9(10)13(19)11-12(18)15(21-2)17(23-4)16(22-3)14(11)20/h5-8,20H,1-4H3

InChI Key

UGEKWKMLXLFVIY-UHFFFAOYSA-N

Formula

C17H17NO5

SMILES

COc1c(OC)c(OC)c2c(c1O)c(=O)c1ccccc1n2C

Molecular Weight¹

315.32

CAS

7008-68-6

Other Names

• 9-Acridanone, 1-hydroxy-2,3,4-trimethoxy-10-methyl-
• Normelicopicine
• O-Normelicopicine

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9523		Relay (... Calculated Property
ΔfG°	-200.28	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-448.11	kJ/mol	Relay (... Calculated Property
ΔvapH°	130.17	kJ/mol	Relay (... Calculated Property
IE	7.14	eV	Relay (... Calculated Property
log10WS	-3.07		Relay (... Calculated Property
logPoct/wat	2.423		Crippen Calculated Property
McVol	227.040	ml/mol	McGowan Calculated Property
Pc	1931.30	kPa	Relay (... Calculated Property ⚠️
Inp	[2854.00; 2854.00]
Inp	2854.00		NIST
Inp	2854.00		NIST
Tboil	687.24	K	Relay (... Calculated Property
Tc	1042.31	K	Relay (... Calculated Property
Tfus	478.54	K	Relay (... Calculated Property
Vc	0.841	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 9(10H)-Acridinone, 1-hydroxy-2,3,4-trimethoxy-10-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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