Methyl 3-amino-5-hydroxybenzoate

C₈H₉NO₃CAS 67973-80-2167.16 g/mol

Open in Covalent MOL file

Ester Phenol Primary amine

Properties

Molecular formula: C₈H₉NO₃
Molar mass: 167.16 g/mol
Exact mass: 167.0582 Da
logP: 0.76Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

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

67973-80-2

SMILES

COC(=O)C1=CC(=CC(=C1)O)N

InChIKey

DMNGQQIFOZYIRA-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,9H2,1H3

Weigh it out

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

Work with Methyl 3-amino-5-hydroxybenzoate

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

Dimethyl 5-hydroxyisophthalate13036-02-774 % similar 3,5-Dihydroxybenzoic acid methyl ester2150-44-974 % similar 5-Aminoisophthalic acid dimethyl ester99-27-474 % similar 1-Methyl 5-amino-1,3-benzenedicarboxylate28179-47-765 % similar Methyl 5-bromo-3-hydroxybenzoate192810-12-164 % similar 3-Amino-5-fluorobenzoic acid methyl ester884497-46-562 % similar 1-Methyl 3-amino-5-boronobenzoate380430-56-862 % similar Methyl 3-hydroxybenzoate19438-10-957 % similar

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

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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