CAS 66-77-3|1-NAPHTHALDEHYDE, REAGENT GRADE|1-Naphthaldehyde|1-Formylnaphthalene|naphthalene-1-carbaldehyde|1-naphthaldehyde|α-NAPHTHALDEHYDE|α-Naphthaldehyde|α-萘甲醛|1-萘甲醛|1-Naphthaldeh...

General Information

Structure

Molecular Formula

C₁₁H₈O

Molecular Mass

156.18062

Exact Mass

156.05751488

Charge

InChI

InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H

InChIKey

SQAINHDHICKHLX-UHFFFAOYSA-N

Canonic Smiles

O=Cc1cccc2c1cccc2

Isomeric Smiles

O=Cc1cccc2ccccc12

Calculated Properties

JChem

LogD (pH = 7.4)

2.68

LogD (pH = 5.5)

2.68

Log P

2.68

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

-7.16

Polar Surface Area

17.07

Polarizability

16.70

Molar Refractivity

49.09

LOG S

-3.21

Data Source

Names and Identifiers

Synonyms

1-NAPHTHALDEHYDE, REAGENT GRADE1-Naphthaldehyde1-Formylnaphthaleneα-NAPHTHALDEHYDEα-Naphthaldehydeα-萘甲醛1-萘甲醛1-Naphthaldehyde1-萘醛1-Naphthalenecarboxaldehyde1-Naphathalenecarboxaldehyde1-Formylnaphthalene1-naphthaldehyde1-naphthaldehydealphaalpha-naphthaldehydealpha-naphthal1-Naphthaldehyde1-Naphthalenecarboxaldehyde

IUPAC name

naphthalene-1-carbaldehyde

IUPAC Traditional name

1-naphthaldehyde

Names and Identifiers

Registration numbers

CAS Number

66-77-3

MDL Number

MFCD00004003

Beilstein Number

386082