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Cas Database |
| Name |
Doisynolic acid |
EINECS | N/A |
| CAS No. | 482-49-5 | Density | 1.131g/cm3 |
| PSA | 57.53000 | LogP | 3.94910 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H24 O3 | Boiling Point | 474.1°Cat760mmHg |
| Molecular Weight | 288.387 | Flash Point | 254.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
16,17-Secoestra-1,3,5(10)-trien-17-oicacid, 3-hydroxy- (8CI); 2-Phenanthrenecarboxylic acid,1-ethyl-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-, [1S-(1a,2b,4ab,10aa)]-; 2-Phenanthrenecarboxylicacid, 1-ethyl-1,2,3,4,4a,9,10,10a-octahydroxy-7-hydroxy-2-methyl- (7CI);3-Hydroxy-16,17-secoestra-1,3,5(10)-trien-17-oic acid; Doisynolic acid;trans-Doisynolic acid |
Article Data | 8 |
Doisynolic acid Chemical Properties
Molecule structure of Doisynolic acid (CAS NO.482-49-5):
IUPAC Name: 1-Ethyl-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid
Molecular Weight: 288.38136 g/mol
Molecular Formula: C18H24O3
Density: 1.131 g/cm3
Boiling Point: 474.1 °C at 760 mmHg
Flash Point: 254.6 °C
Index of Refraction: 1.552
Molar Refractivity: 81.46 cm3
Molar Volume: 254.9 cm3
Polarizability: 32.29×10-24 cm3
Surface Tension: 42.6 dyne/cm
Enthalpy of Vaporization: 77.68 kJ/mol
Vapour Pressure: 8.55E-10 mmHg at 25 °C
XLogP3-AA: 4.4
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 9
Exact Mass: 288.172545
MonoIsotopic Mass: 288.172545
Topological Polar Surface Area: 57.5
Heavy Atom Count: 21
Complexity: 407
Canonical SMILES: CCC1C2CCC3=C(C2CCC1(C)C(=O)O)C=CC(=C3)O
InChI: InChI=1S/C18H24O3/c1-3-16-15-6-4-11-10-12(19)5-7-13(11)14(15)8-9-18(16,2)17(20)21/h5,7,10,14-16,19H,3-4,6,8-9H2,1-2H3,(H,20,21)
InChIKey of Doisynolic acid (CAS NO.482-49-5): GEGYYIFBFKSCPK-UHFFFAOYSA-N
Doisynolic acid Toxicity Data With Reference
| 1. | orl-gpg TDLo:72 mg/kg/12W-I:ETA,REP | RSABAC Revista de la Sociedad Argentina de Biologia. 25 (1949),215. |
Doisynolic acid Safety Profile
Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Doisynolic acid Specification
Doisynolic acid (CAS NO.482-49-5) is also called 1-Ethyl-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-2-phenanthrenecarboxylic acid ; 1-Ethyl-7-hydroxy-2-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylic acid ; Acido doisynolico ; Acido doisynolico [Spanish] ; 16,17-Secoestra-1,3,5(10)-trien-17-oic acid, 3-hydroxy- 3-Hydroxy-16,17-secoestra-1,3,5(10)-trien-17-oic acid .
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