3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione

C9H9NO3CAS 21715-90-2179.17 g/mol

Open in Covalent MOL file
OONHO
AlkeneAmideLactam

Properties

Molecular formula
C9H9NO3
Molar mass
179.17 g/mol
Exact mass
179.0582 Da
Melting point
164 °C
logP
0.18Crippen estimate
Polar surface area
57.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
21715-90-2
SMILES
O=C1C2C3C=CC(C3)C2C(=O)N1O
InChIKey
ZUSSTQCWRDLYJA-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h1-2,4-7,13H,3H2

Weigh it out

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

Names and synonyms

8 names
  • 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-hydroxy-
  • 5-Norbornene-2,3-dicarboximide, N-hydroxy-
  • N-Hydroxy-5-norbornene-2,3-dicarboximide
  • N-Hydroxy-5-bicyclo[2.2.1]heptene-2,3-dicarboximide
  • NSC 100740
  • NSC 12953
  • HONB
  • 3,5-Dioxo-4-azatricyclo[5.2.1.02′6]dec-8-en-4-ol

Work with 3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione

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-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-048 % similar 5-Norbornene-2,3-dicarboxylic acid3813-52-348 % similar Carbic anhydride129-64-643 % similar Himic anhydride2746-19-243 % similar Nadic anhydride826-62-043 % similar O-(5-Norbornene-2,3-dicarboximido)-N,N,N',N'-tetramethyluronium Hexafluorophosphate208462-94-641 % similar N-Octyl bicycloheptene dicarboximide113-48-440 % similar 3a,4,7,7a-Tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione3647-74-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 Methyl 2-acetylpyridine-4-carboxylate138715-82-9 (4-(Hydroxyimino)methyl)-2-methylbenzoic acid1437051-93-8 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 3′-Nitropropiophenone17408-16-1 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-3-(2-nitrovinyl)benzene3179-09-7 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0

Elsewhere

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