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CAS No.: | 24684-42-2 |
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Name: | 16,17-Dihydro-11-methyl-15H-cyclopenta[a]phenanthren-15-one |
Molecular Structure: | |
Formula: | C18H14 O |
Molecular Weight: | 246.32 |
Synonyms: | 15H-Cyclopenta[a]phenanthren-15-one,16,17-dihydro-11-methyl- (8CI,9CI); 15,16-Dihydro-11-methylcyclopenta[a]phenanthren-15-one |
Density: | 1.234g/cm3 |
Boiling Point: | 468.1°Cat760mmHg |
Flash Point: | 210.2°C |
Safety: | Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES. |
PSA: | 17.07000 |
LogP: | 4.43030 |
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Chemistry informtion about 16,17-Dihydro-11-Methylcyclopenta(A)-Phenanthren-15-One(CAS NO.24684-42-2) is:
IUPAC Name: 11-methyl-16,17-dihydrocyclopenta[a]phenanthren-15-one
Synonyms: Cyclopenta(a)phenanthren-15-one, 16,17-dihydro-11-methyl-
Molecular Weight: 246.30316 [g/mol]
Molecular Formula: C18H14O
XLogP3-AA: 4.5
H-Bond Donor: 0
H-Bond Acceptor: 1
Density: 1.234 g/cm3
Flash Point: 210.2 °C
Enthalpy of Vaporization: 73.02 kJ/mol
Boiling Point: 468.1 °C at 760 mmHg
Vapour Pressure: 6.18E-09 mmHg at 25°C
Following is the molecular structure of 16,17-Dihydro-11-Methylcyclopenta(A)-Phenanthren-15-One(CAS NO.24684-42-2) is:
1. | mma-sat 50 µg/plate | CNREA8 Cancer Research. 36 (1976),4525. |
EPA Genetic Toxicology Program.
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
Descriptors computed from structure about 16,17-Dihydro-11-Methylcyclopenta(A)-Phenanthren-15-One(CAS NO.24684-42-2) is:
Canonical SMILES: CC1=C2C(=C3C(=C1)CCC3=O)C=CC4=CC=CC=C42
InChI: InChI=1S/C18H14O/c1-11-10-13-7-9-16(19)18(13)15-8-6-12-4-2-3-5-14(12)17(11)15/h2-6,8,10H,7,9H2,1H3
InChIKey: QIYZRJMQFLRFFW-UHFFFAOYSA-N