CAS 116750-06-2|5-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-formylfuran|5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]furan-2-carbaldehyde|5-[(1,3-Dioxoisoindolin-2-yl)methyl]furan-2-ca...

General Information

Structure

Molecular Formula

C₁₄H₉NO₄

Molecular Mass

255.22556

Exact Mass

255.05315777

Charge

InChI

InChI=1S/C14H9NO4/c16-8-10-6-5-9(19-10)7-15-13(17)11-3-1-2-4-12(11)14(15)18/h1-6,8H,7H2

InChIKey

ZRBXPAHJXKKXME-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc(o1)CN1C(=O)c2c(C1=O)cccc2

Isomeric Smiles

o1c(ccc1CN1C(=O)c2c(cccc2)C1=O)C=O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3343223

LogD (pH = 7.4)

1.3343223

Log P

1.3343223

Molar Refractivity

67.6765

Polarizability

24.401863

Polar Surface Area

67.59

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

5-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-formylfuran5-[(1,3-Dioxoisoindolin-2-yl)methyl]furan-2-carboxaldehydeN-[(5-Formylfur-2-yl)methyl]phthalimide5-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-furaldehdye5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-furaldehyde

IUPAC name

5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]furan-2-carbaldehyde

IUPAC Traditional name

5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbaldehyde

Names and Identifiers

Registration numbers

MDL Number

MFCD02180376

CAS Number

116750-06-2

PubChem CID

273878