chempirical

9-Phenanthrenecarboxaldehyde

C15H10OCAS 4707-71-5206.24 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C15H10O
Molar mass
206.24 g/mol
Exact mass
206.0732 Da
Melting point
101 °C
Boiling point
160–170 °C (at 1 Torr)
logP
3.81Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
4707-71-5
SMILES
O=Cc1cc2ccccc2c2ccccc12
InChIKey
QECIGCMPORCORE-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-10H

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Names and synonyms

7 names
  • 9-Phenanthraldehyde
  • 9-Phenanthrenaldehyde
  • 9-Phenanthrenecarbaldehyde
  • 9-Formylphenanthrene
  • NSC 1932
  • 9-Phenanthridinecarboxaldehyde
  • Phenanthrene-9-carbaldehyde

Reactions

Work with 9-Phenanthrenecarboxaldehyde

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

2,3-Naphthalenedicarboxaldehyde7149-49-764 % similar 1-Naphthalenecarboxaldehyde66-77-357 % similar Isoquinoline-4-carbaldehyde22960-16-350 % similar 1-Bromo-2-naphthalenecarboxaldehyde3378-82-348 % similar 4-Hydroxy-1-naphthaldehyde7770-45-848 % similar Phthalaldehyde643-79-848 % similar 4-Methyl-1-naphthaldehyde33738-48-647 % similar Dibenz[a,h]anthracene53-70-344 % similar

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

Same formula

Dibenzo[a,d]cyclohepten-5-one2222-33-5 Anthracene-9-carbaldehyde642-31-9 Diphenylcyclopropenone886-38-4

Elsewhere

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