chempirical

2-Methyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

C10H12O4CAS 36897-94-6196.20 g/mol

Open in Covalent MOL file
OOOHO
AlkeneCarboxylic acidEster

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
logP
0.68Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
36897-94-6
SMILES
COC(=O)C1C2C=CC(C2)C1C(=O)O
InChIKey
JYZKYCYHXBQTCY-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)

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, 2-methyl ester
  • Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, monomethyl ester
  • 5-Norbornene-2,3-dicarboxylic acid, methyl ester
  • Methyl 5-norbornene-2,3-dicarboxylate
  • 5-Norbornene-2,3-dicarboxylic acid monomethyl ester
  • Nadic acid monomethyl ester
  • NSC 168053
  • 3-Methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Work with 2-Methyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

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

Dimethyl 5-norbornene-2,3-dicarboxylate5826-73-377 % similar 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-067 % similar 5-Norbornene-2,3-dicarboxylic acid3813-52-367 % similar Carbic anhydride129-64-652 % similar Himic anhydride2746-19-252 % similar Nadic anhydride826-62-052 % similar trans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid15177-67-049 % similar Methyl 3-hydroxycyclobutanecarboxylate4934-99-039 % similar

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

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1

Elsewhere

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