chempirical

6,7-Dihydroxy-3,4-dihydroisoquinoline

C9H9NO2CAS 4602-83-9163.18 g/mol

Open in Covalent MOL file
NHOHO
IminePhenol

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
logP
1.07Crippen estimate
Polar surface area
52.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

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
4602-83-9
SMILES
C1CN=CC2=CC(=C(C=C21)O)O
InChIKey
PWCQVMIYUGOTLG-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-5,11-12H,1-2H2

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Work with 6,7-Dihydroxy-3,4-dihydroisoquinoline

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

7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline4602-73-766 % similar 3,4-Dihydro-6,7-dimethoxyisoquinoline3382-18-151 % similar 3,4-Dihydro-6,7-dimethoxyisoquinoline hydrochloride20232-39-749 % similar Salen94-93-945 % similar N,N'-Bis(salicylidene)-1,3-propanediamine120-70-743 % similar 5,6-Dihydroxyindoline29539-03-538 % similar 2,4,5-Trihydroxybenzaldehyde35094-87-233 % similar 2-(2,4,5-Trihydroxyphenyl)ethylamine hydrobromide636-00-032 % similar

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

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-8 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7

Elsewhere

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