chempirical

2-Amino-3-formylbenzoic acid

C8H7NO3CAS 27867-47-6165.15 g/mol

Open in Covalent MOL file
OOHNH2O
AldehydeCarboxylic acidPrimary amine

Properties

Molecular formula
C8H7NO3
Molar mass
165.15 g/mol
Exact mass
165.0426 Da
logP
0.78Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
27867-47-6
SMILES
C1=CC(=C(C(=C1)C(=O)O)N)C=O
InChIKey
VENQUFMWOGHOCF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4H,9H2,(H,11,12)

Weigh it out

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

Work with 2-Amino-3-formylbenzoic 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

2-Carboxybenzaldehyde119-67-567 % similar 2,3-Diaminobenzoic acid603-81-660 % similar 2-Amino-3-bromobenzoic acid20776-51-658 % similar 3-Hydroxyanthranilic acid548-93-658 % similar 2-Amino-3-chlorobenzoic acid6388-47-258 % similar 2-Amino-3-iodobenzoic acid20776-55-057 % similar 2-Amino-3-methylbenzoic acid4389-45-157 % similar 2-Amino-3-(methoxycarbonyl)benzoic acid253120-47-753 % similar

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

Same formula

P-Nitroacetophenone100-19-6 Methyl 6-formylpyridine-3-carboxylate10165-86-3 3′-Nitroacetophenone121-89-1 2-Methyl-5-nitrobenzaldehyde16634-91-6 5-Nitro-2,3-dihydro-1-benzofuran17403-47-3 3-Methyl-4-nitrobenzaldehyde18515-67-8 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-3 4-Methyl-3-nitrobenzaldehyde31680-07-6

Elsewhere

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