CAS 81-84-5|3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione|1,8-naphthalic anhydride|1,8-Naphthalic anhydride|Naphtho[1,8,8a-c,d]pyran-1,3-dione|1H,3H-Benzo[de]isochromene-1,3...

General Information

Structure

Molecular Formula

C₁₂H₆O₃

Molecular Mass

198.17424

Exact Mass

198.03169405

Charge

InChI

InChI=1S/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H

InChIKey

GRSMWKLPSNHDHA-UHFFFAOYSA-N

Canonic Smiles

O=C1OC(=O)c2c3c1cccc3ccc2

Isomeric Smiles

O1C(=O)c2c3c(cccc3ccc2)C1=O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.4120605

LogD (pH = 7.4)

2.4120605

Log P

2.4120605

Molar Refractivity

53.8152

Polarizability

21.57356

Polar Surface Area

43.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione 3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

Synonyms

1,8-Naphthalic anhydrideNaphtho[1,8,8a-c,d]pyran-1,3-dione1H,3H-Benzo[de]isochromene-1,3-dione1,8-NAPHTHALIC ANHYDRIDEbenzo[de]isochromene-1,3-dione萘并[1,8,8 A - C ， D ]吡喃-1,3-二酮Naphthalene-1,8-dicarboxylic anhydride1,8-Naphthalic anhydride1,8-萘二甲酸酐

IUPAC Traditional name

1,8-naphthalic anhydride

Names and Identifiers

Registration numbers

CAS Number

EC Number

MDL Number

Beilstein Number