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Cas Database |
| Name |
Ramentaceone |
EINECS | N/A |
| CAS No. | 14787-38-3 | Density | 1.371g/cm3 |
| PSA | 54.37000 | LogP | 1.63580 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H8 O3 | Boiling Point | 427.2°Cat760mmHg |
| Molecular Weight | 188.183 | Flash Point | 226.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,4-Naphthoquinone,5-hydroxy-7-methyl- (8CI); Ramentaceone (6CI);5-Hydroxy-7-methyl-1,4-naphthoquinone; 7-Methyl-5-hydroxy-1,4-naphthoquinone;7-Methyljuglone; NSC 208733; NSC 624625 |
Article Data | 2 |
Ramentaceone Chemical Properties
Molecule structure of Ramentaceone (CAS NO.14787-38-3):
IUPAC Name: 5-Hydroxy-7-methylnaphthalene-1,4-dione
Molecular Weight: 188.17942 g/mol
Molecular Formula: C11H8O3
Density: 1.371 g/cm3
Boiling Point: 427.2 °C at 760 mmHg
Flash Point: 226.3 °C
Index of Refraction: 1.642
Molar Refractivity: 49.61 cm3
Molar Volume: 137.2 cm3
Polarizability: 19.66×10-24 cm3
Surface Tension: 61.2 dyne/cm
Enthalpy of Vaporization: 70.86 kJ/mol
Vapour Pressure: 6.68E-08 mmHg at 25 °C
XLogP3: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Tautomer Count: 12
Exact Mass: 188.047344
MonoIsotopic Mass: 188.047344
Topological Polar Surface Area: 54.4
Heavy Atom Count: 14
Complexity: 306
Canonical SMILES: CC1=CC(=C2C(=O)C=CC(=O)C2=C1)O
InChI: InChI=1S/C11H8O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h2-5,14H,1H3
InChIKey of Ramentaceone (CAS NO.14787-38-3): OZUSCVSONBBWOR-UHFFFAOYSA-N
Ramentaceone Toxicity Data With Reference
| 1. | mic-sat 50 µLg/plate | MUREAV Mutation Research. 124 (1983),25. |
Ramentaceone Safety Profile
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
Ramentaceone Specification
Ramentaceone (CAS NO.14787-38-3) is also named as 4-08-00-02374 (Beilstein Handbook Reference) ; 5-Hydroxy-7-methyl-1,4-naphthalenedione ; 5-Hydroxy-7-methyl-1,4-naphthoquinone ; 7-Methyljuglon ; 7-Methyljuglone ; BRN 2047829 ; JUGLONE, 7-METHYL- ; NSC 208733 ; NSC 624625 ; Ramentaceone (6CI) ; 1,4-Naphthalenedione, 5-hydroxy-7-methyl- (9CI) ; 1,4-Naphthoquinone, 5-hydroxy-7-methyl- .
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