2-Furanacetic acid, α-(methoxyimino)-, ammonium salt (1:1), (αZ)-

C₇H₁₀N₂O₄CAS 97148-39-5186.17 g/mol

Open in Covalent MOL file

Carboxylic acid Oxime

Properties

Molecular formula: C₇H₁₀N₂O₄
Molar mass: 186.17 g/mol
Exact mass: 186.0641 Da
logP: 0.88Crippen estimate
Polar surface area: 107.0 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Hazards

Danger

H228 Flammable solidFlammable solids

Harmonised EU classification (CLP Annex VI, index 607-378-00-1), via PubChem.

Precautionary statements

P210, P240, P241, P280, P370+P378

Identifiers

CAS number

97148-39-5

SMILES

CO/N=C(C(=O)O)c1ccco1.N

InChIKey

ZWNSXPIVYODLLM-PHZXCRFESA-N

InChI

InChI=1S/C7H7NO4.H3N/c1-11-8-6(7(9)10)5-3-2-4-12-5;/h2-4H,1H3,(H,9,10);1H3/b8-6-;

Weigh it out

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

Names and synonyms

2 names

2-Furanacetic acid, α-(methoxyimino)-, ammonium salt, (Z)-
2-Furanacetic acid, α-(methoxyimino)-, ammonium salt, (αZ)-

Work with 2-Furanacetic acid, α-(methoxyimino)-, ammonium salt (1:1), (αZ)-

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

Cefuroxime55268-75-244 % similar Methyl 2-furoate611-13-242 % similar α-Furil dioxime522-27-041 % similar 2-Furoic acid88-14-241 % similar (alphaZ)-2-Amino-alpha-(methoxyimino)-4-thiazoleacetic acid65872-41-541 % similar (Z)-2-Formamido-alpha-(methoxyimino)thiazol-4-acetic acid65872-43-740 % similar 2-Acetylfuran1192-62-738 % similar 2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetic acid72217-12-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Di-β-aminopropionitrile fumarate2079-89-2 Alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID74341-63-2 (S)-Ampa83643-88-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook