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Cas Database |
| Name |
15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One |
EINECS | N/A |
| CAS No. | 5836-85-1 | Density | 1.265g/cm3 |
| PSA | 26.30000 | LogP | 4.13050 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H14O2 | Boiling Point | 491.4°Cat760mmHg |
| Molecular Weight | 262.308 | Flash Point | 236.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
15,16-dihydro-11-methoxycyclopentaphenanthren-17-one;11-Methoxy-15,16-dihydro-cyclopentaphenanthren-17-on; |
Article Data | 4 |
15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One Chemical Properties
Chemistry informtion about 15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One(CAS NO.5836-85-1) is:
IUPAC Name: 11-methoxy-15,16-dihydrocyclopenta[a]phenanthren-17-one
Synonyms: 11-Methoxy-15,16-dihydro-17H-cyclopenta[a]phenanthrene-17-one ; 15,16-Dihydro-11-methoxy-17H-cyclopenta[a]phenanthren-17-one
Molecular Weight: 262.30256 [g/mol]
Molecular Formula: C18H14O2
XLogP3-AA: 4.1
H-Bond Donor: 0
H-Bond Acceptor: 2
Density: 1.265 g/cm3
Flash Point: 236.9 °C
Enthalpy of Vaporization: 75.81 kJ/mol
Boiling Point: 491.4 °C at 760 mmHg
Vapour Pressure: 8.43E-10 mmHg at 25°C
Following is the molecular structure of 15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One(CAS NO.5836-85-1) is:
15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One Toxicity Data With Reference
| 1. | skn-mus TDLo:108 mg/kg/1Y-I:CAR | PEXTAR Progress in Experimental Tumor Research. 11 (1969),69. |
15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One Safety Profile
Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One Specification
Descriptors Computed from Structure about 15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One(CAS NO.5836-85-1) is:
Canonical SMILES: COC1=C2C(=C3CCC(=O)C3=C1)C=CC4=CC=CC=C42
InChI: InChI=1S/C18H14O2/c1-20-17-10-15-13(8-9-16(15)19)14-7-6-11-4-2-3-5-12(11)18(14)17/h2-7,10H,8-9H2,1H3
InChIKey: NGXQHSGMHCOILD-UHFFFAOYSA-N
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