[(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate

Modify Date: 2025-09-22 18:20:53

[(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate Structure
[(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate structure
Common Name [(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate
CAS Number 119056-58-5 Molecular Weight 415.39500
Density 1.44g/cm3 Boiling Point 599.6ºC at 760mmHg
Molecular Formula C24H17NO6 Melting Point N/A
MSDS N/A Flash Point 242.5ºC

 Names

Name [(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate

 Chemical & Physical Properties

Density 1.44g/cm3
Boiling Point 599.6ºC at 760mmHg
Molecular Formula C24H17NO6
Molecular Weight 415.39500
Flash Point 242.5ºC
Exact Mass 415.10600
PSA 98.42000
LogP 5.79960
Vapour Pressure 2.45E-14mmHg at 25°C
Index of Refraction 1.729
InChIKey KXZAJPBVOLGMOQ-RPWUZVMVSA-N
SMILES CC(=O)OC1c2cccc3ccc4c5ccccc5c([N+](=O)[O-])c(c4c23)C1OC(C)=O
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