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

C10H8N2O3CAS 25947-11-9204.18 g/mol

Open in Covalent MOL file
NNHOOOH
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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
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)

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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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