chempirical

6-Aminophthalide

C8H7NO2CAS 57319-65-0149.15 g/mol

Open in Covalent MOL file
H2NOO
EsterLactonePrimary amine

Properties

Molecular formula
C8H7NO2
Molar mass
149.15 g/mol
Exact mass
149.0477 Da
Melting point
143 °C
logP
0.94Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
57319-65-0
SMILES
Nc1ccc2c(c1)C(=O)OC2
InChIKey
ZIJZDNKZJZUROE-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4,9H2

Weigh it out

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

Names and synonyms

8 names
  • 1(3H)-Isobenzofuranone, 6-amino-
  • 6-Amino-3H-isobenzofuran-1-one
  • 5-Amino-3-oxo-1,3-dihydroisobenzofuran
  • Phthalide, 6-amino-
  • 6-Amino-1(3H)-isobenzofuranone
  • NSC 49585
  • 6-Amino-2-benzofuran-1(3H)-one
  • 6-Amino-1,3-dihydroisobenzofuran-1-one

Work with 6-Aminophthalide

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

5-Aminophthalide65399-05-575 % similar Phthalide87-41-255 % similar 6-Nitrophthalide610-93-553 % similar 2,6-Diaminoanthraquinone131-14-648 % similar 5-Bromophthalide64169-34-247 % similar Benzyl anthranilate82185-41-945 % similar 2-Aminoanthraquinone117-79-344 % similar Benzyl phthalate523-31-944 % similar

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

Same formula

4-Nitrostyrene100-13-0 β-Nitrostyrene102-96-5 3-(3-Pyridinyl)-2-propenoic acid1126-74-5 3-Methoxyphenyl isocyanate18908-07-1 trans-3-(3-Pyridyl)acrylic acid19337-97-4 3-Methylbenzo[D]oxazol-2(3H)-one21892-80-8 5,6-Dihydroxyindole3131-52-0 5-Hydroxyoxindole3416-18-0

Elsewhere

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