9,10-Dihydrobenzo[a]pyren-7(8H)-one

C₂₀H₁₄OCAS 3331-46-2270.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₁₄O
Molar mass: 270.33 g/mol
Exact mass: 270.1045 Da
Melting point: 178 °C
logP: 5.10Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3331-46-2

SMILES

O=C1CCCc2c1cc1ccc3cccc4ccc2c1c34

InChIKey

AIGDHFJPKNZUOR-UHFFFAOYSA-N

InChI

InChI=1S/C20H14O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1,3-4,7-11H,2,5-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Benzo[a]pyren-7(8H)-one, 9,10-dihydro-
7-Oxo-7,8,9,10-tetrahydrobenzo[a]pyrene
NSC 30830

Work with 9,10-Dihydrobenzo[a]pyren-7(8H)-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

γ-Oxo-1-pyrenebutyric acid7499-60-750 % similar 1-Pyrenebutanoic acid3443-45-647 % similar 5-Bromo-1-tetralone68449-30-947 % similar 5-Hydroxy-1-tetralone28315-93-745 % similar 5-Methoxy-1-tetralone33892-75-043 % similar 1-Succinimidyl-3'-pyrenebutyrate114932-60-442 % similar 3,4-Dihydro-5,7-dimethyl-1(2H)-naphthalenone13621-25-541 % similar 2,3-Dihydro-1H-phenanthren-4-one778-48-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Diphenylisobenzofuran5471-63-6 2-Naphthyl ether613-80-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook