1-Pyrenecarboxaldehyde

C17H10OCAS 3029-19-4230.27 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C17H10O
Molar mass
230.27 g/mol
Exact mass
230.0732 Da
Melting point
126 °C
Boiling point
287 °C (at 17 Torr)
logP
4.40Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3029-19-4
SMILES
O=Cc1ccc2ccc3cccc4ccc1c2c34
InChIKey
RCYFOPUXRMOLQM-UHFFFAOYSA-N
InChI
InChI=1S/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H

Weigh it out

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

Names and synonyms

8 names
  • 3-Pyrenecarboxaldehyde
  • 3-Formylpyrene
  • 3-Pyrenylaldehyde
  • 3-Pyrenealdehyde
  • 1-Formylpyrene
  • 1-Pyrenealdehyde
  • 1-Pyrenecarbaldehyde
  • NSC 30811

Work with 1-Pyrenecarboxaldehyde

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

1-Hydroxypyrene5315-79-755 % similar 1-Naphthalenecarboxaldehyde66-77-355 % similar 1-Bromo-2-naphthalenecarboxaldehyde3378-82-347 % similar 4-Hydroxy-1-naphthaldehyde7770-45-847 % similar Pyrene129-00-046 % similar Isoquinoline-5-carboxaldehyde80278-67-746 % similar 1-Aminopyrene1606-67-345 % similar 1-Bromopyrene1714-29-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzanthrone82-05-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook