trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene

Base Information

• Chemical Name: trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene
• CAS No.: 117760-92-6
• Molecular Formula: C18H13 N O4
• Molecular Weight: 307.3
• UNII: 5FU2481T9V
• DSSTox Substance ID: DTXSID00922536
• Wikidata: Q27262017
• Mol file: 117760-92-6.mol

Synonyms:trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene;117760-92-6;(3S,4S)-12-nitro-3,4-dihydrochrysene-3,4-diol;3,4-Chrysenediol, 3,4-dihydro-12-nitro-, trans-;5FU2481T9V;3,4-Dihydro-12-nitro-3,4-chrysenediol, trans-;CCRIS 3469;UNII-5FU2481T9V;DTXSID00922536;12-nitro-3,4-dihydrochrysene-3,4-diol;trans-3,4-dihydro-12-nitro-3,4-chrysenediol;Q27262017

Chemical Property of trans-9,10-Dihydro-9,10-dihydroxy-6-nitrochrysene

Chemical Property:

• Vapor Pressure: 1.93E-14mmHg at 25°C
• Boiling Point: 583.1°Cat760mmHg
• Flash Point: 242.5°C
• PSA: 86.28000
• Density: 1.509g/cm³
• LogP: 3.84550
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 307.08445790
• Heavy Atom Count: 23
• Complexity: 502

Purity/Quality:

TRANS-9,10-DIHYDRO-9,10-DIHYDROXY-6-NITROCHRYSENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C4C(C(C=CC4=C(C=C32)[N+](=O)[O-])O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC3=C4[C@@H]([C@H](C=CC4=C(C=C32)[N+](=O)[O-])O)O