- InChI
- InChI=1S/C20H19NO3/c1-20(2)10-9-13-15(24-20)11-16(23-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)22/h5-11H,1-4H3
- InChI Key
- SMPZPKRDRQOOHT-UHFFFAOYSA-N
- Formula
- C20H19NO3
- SMILES
-
COc1cc2c(c3c1c(=O)c1ccccc1n3C)
C=CC(C)(C)O2 - Molecular Weight1
- 321.37
- CAS
- 7008-42-6
- Other Names
-
- 7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6-methoxy-3,3,12-trimethyl-
- Acronycine
- Acromycine
- Compound 42339
- NCI-C01536
- NSC 403169
- 3,12-Dihydro-6-methoxy-3,3,12-trimethyl-7H-pyrano(2,3-c)acridin-7-one
- 42339
- 6-Methoxy-3,3,12-trimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7313 | Relay (... Calculated Property | |
| ΔfG° | 76.03 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -173.64 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 121.22 | kJ/mol | Relay (... Calculated Property |
| IE | 7.09 | eV | Relay (... Calculated Property |
| log10WS | -5.07 | Relay (... Calculated Property | |
| logPoct/wat | 3.884 | Crippen Calculated Property | |
| McVol | 242.410 | ml/mol | McGowan Calculated Property |
| Pc | 1217.20 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 713.61 | K | Relay (... Calculated Property |
| Tc | 1037.22 | K | Relay (... Calculated Property |
| Tfus | 455.25 | K | Relay (... Calculated Property |
| Vc | 0.914 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Acronine.
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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