2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid

C₁₀H₈N₂O₃CAS 25947-11-9204.18 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₀H₈N₂O₃
Molar mass: 204.18 g/mol
Exact mass: 204.0535 Da
logP: 0.55Crippen estimate
Polar surface area: 83.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

25947-11-9

SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)O

InChIKey

ZEDQLIHBPGNGEC-UHFFFAOYSA-N

InChI

InChI=1S/C10H8N2O3/c13-9(14)5-8-6-3-1-2-4-7(6)10(15)12-11-8/h1-4H,5H2,(H,12,15)(H,13,14)

Weigh it out

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Names and synonyms

1 names

(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid

Work with 2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic 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

Similar compounds

1,2-Benzisoxazole-3-acetic acid4865-84-349 % similar 4-Phenyl-1(2H)-phthalazinone5004-45-544 % similar 1,2-Benzenediacetic acid7500-53-043 % similar Indole-3-acetic acid87-51-443 % similar 1-Naphthaleneacetic acid86-87-343 % similar Phenylacetic acid103-82-242 % similar Benzo[B]furan-3-ylacetic acid64175-51-541 % similar 2-Methyl-1H-indole-3-acetic acid1912-43-240 % similar

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

Same formula

1-Phenyl-3-carboxy-5-pyrazolone119-18-6 Tyrphostin A46122520-85-8 2-Methyl-5-nitro-1H-indole-3-carbaldehyde3558-17-6 6-Methoxy-8-nitroquinoline85-81-4

Elsewhere

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