chempirical

1,2-Naphthalenedicarboxylic anhydride

C12H6O3CAS 5343-99-7198.18 g/mol

Open in Covalent MOL file
OOO
Acid anhydride

Properties

Molecular formula
C12H6O3
Molar mass
198.18 g/mol
Exact mass
198.0317 Da
logP
2.15Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
5343-99-7
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=O)OC3=O
InChIKey
IDVDAZFXGGNIDQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H6O3/c13-11-9-6-5-7-3-1-2-4-8(7)10(9)12(14)15-11/h1-6H

Weigh it out

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

Names and synonyms

7 names
  • Benzo[e][2]benzofuran-1,3-dione
  • Naphtho[1,2-c]furan-1,3-dione
  • Naphtho(1,2-c)furan-1,3-dione
  • Naphthalene-1,2-dicarboxylic anhydride
  • Benzo[e]isobenzofuran-1,3-dione
  • 1H,3H-Naphtho[1,2-c]furan-1,3-dione
  • Naphthalin-1.2-dicarbonsaureanhydrid

Work with 1,2-Naphthalenedicarboxylic anhydride

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

Phthalic anhydride85-44-952 % similar Benz[A]anthracene-7,12-dione2498-66-051 % similar 3-Chlorophthalic anhydride117-21-549 % similar 3-Iodophthalic anhydride28418-88-447 % similar 3-Hydroxyphthalic anhydride37418-88-547 % similar 3-Methylphthalic anhydride4792-30-747 % similar 3-Fluorophthalic anhydride652-39-147 % similar Naphthalenetetracarboxylic dianhydride81-30-147 % similar

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

Same formula

2,3-Naphthalenedicarboxylic anhydride716-39-2 1,8-Naphthalic anhydride81-84-5

Elsewhere

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