5-Norbornene-2,3-dicarboxylic acid

C₉H₁₀O₄CAS 3813-52-3182.17 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₉H₁₀O₄
Molar mass: 182.17 g/mol
Exact mass: 182.0579 Da
Melting point: 177–179 °C
logP: 0.59Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3813-52-3

SMILES

O=C(O)C1C2C=CC(C2)C1C(=O)O

InChIKey

NIDNOXCRFUCAKQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

8 names

Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
3,6-Endomethylene-4-cyclohexene-1,2-dicarboxylic acid
endo-Methylenetetrahydrophthalic acid
1,2-Benzenedicarboxylic acid, 1,2,3,6-tetrahydro-3,6-endo-methylene-
3,6-Endomethylenephthalic acid, tetrahydro-
Bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid
3,6-Methano-4-cyclohexene-1,2-dicarboxylic acid
NSC 62668

Work with 5-Norbornene-2,3-dicarboxylic acid

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0Defined stereoisomer

Similar compounds

2-Methyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate36897-94-667 % similar 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid2216-84-452 % similar Rel-(1R,2R,3S,4S)-1,2,3,4-Cyclopentanetetracarboxylic acid3786-91-252 % similar 5-Norbornene-2-carboxylic acid120-74-152 % similar 3a,4,7,7a-Tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione3647-74-348 % similar 3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-248 % similar Carbic anhydride129-64-648 % similar Himic anhydride2746-19-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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