1,10-Phenanthroline-2,9-dicarboxylic acid

C14H8N2O4CAS 57709-61-2268.23 g/mol

Open in Covalent MOL file
NOOHNOOH
Carboxylic acid

Properties

Molecular formula
C14H8N2O4
Molar mass
268.23 g/mol
Exact mass
268.0484 Da
logP
2.18Crippen estimate
Polar surface area
100.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
57709-61-2
SMILES
C1=CC2=C(C3=C1C=CC(=N3)C(=O)O)N=C(C=C2)C(=O)O
InChIKey
FXSVCROWUPWXBP-UHFFFAOYSA-N
InChI
InChI=1S/C14H8N2O4/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9/h1-6H,(H,17,18)(H,19,20)

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Work with 1,10-Phenanthroline-2,9-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

Similar compounds

8-Hydroxyquinoline-2-carboxylic acid1571-30-868 % similar Quinaldic acid93-10-763 % similar Dipicolinic acid499-83-262 % similar 3,6-Pyridazinedicarboxylic acid57266-70-360 % similar 1H-Pyrrolo(2,3-b)pyridine-6-carboxylic acid898746-35-559 % similar 1,6-Naphthyridine-2-carboxylic acid197507-59-858 % similar 2,2'-Bipyridine-6,6'-dicarboxylic acid4479-74-755 % similar 6-Aminopyridine-2-carboxylic acid23628-31-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N′-1,3-Phenylenedimaleimide3006-93-7 1,4-Phenylenebismaleimide3278-31-7

Elsewhere

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