Compound C27H19N3O9

3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol;2,4,6-trinitrophenol

CAS: 63041-80-5

Molecular Formula	`C27H19N3O9`
Molecular Weight	529.5 g/mol
Topological Polar Surface Area	198.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	0
Exact Mass	529.1121
Heavy Atoms	39
Complexity	754.0

Chemical Identifiers

CAS Number	63041-80-5
SMILES	`CC1=C2C(C(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`RHOJZLWOEBOBKP-UHFFFAOYSA-N`

📖 Product Overview

Compound C27H19N3O9 (CAS: 63041-80-5) is a chemical compound with molecular formula C27H19N3O9 and molecular weight 529.5 g/mol. Its IUPAC systematic name is 3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol;2,4,6-trinitrophenol. Topological Polar Surface Area 198.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 0 Exact Mass 529.1121 Heavy Atoms 39 Complexity 754.0 InChI Key: RHOJZLWOEBOBKP-UHFFFAOYSA-N. SMILES: CC1=C2C(C(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].

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