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82121-05-9 molecular structure
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7-methoxyquinolin-4-ol

ChemBase ID: 92048
Molecular Formular: C10H9NO2
Molecular Mass: 175.18396
Monoisotopic Mass: 175.06332853
SMILES and InChIs

SMILES:
n1ccc(c2ccc(cc12)OC)O
Canonical SMILES:
COc1ccc2c(c1)nccc2O
InChI:
InChI=1S/C10H9NO2/c1-13-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-6H,1H3,(H,11,12)
InChIKey:
NQUPXNZWBGZRQX-UHFFFAOYSA-N

Cite this record

CBID:92048 http://www.chembase.cn/molecule-92048.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxyquinolin-4-ol
IUPAC Traditional name
7-methoxyquinolin-4-ol
Synonyms
4-Hydroxy-7-methoxyquinoline
7-methoxyquinolin-4-ol
4-Hydroxy-7-methoxyquinoline
4-羟基-7-甲氧基喹啉
CAS Number
82121-05-9
190516-85-9
MDL Number
MFCD00169015
PubChem SID
162078746
PubChem CID
2831995

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.700278  H Acceptors
H Donor LogD (pH = 5.5) 1.6684772 
LogD (pH = 7.4) 1.6694345  Log P 1.6696639 
Molar Refractivity 48.4234 cm3 Polarizability 20.071184 Å3
Polar Surface Area 42.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
213 - 215°C expand Show data source
213-217 °C expand Show data source
213-217°C expand Show data source
Hydrophobicity(logP)
2.631 expand Show data source
Storage Warning
Harmful/Irritant/Corrosive/Stench/Air Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-37/38-41 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C10H9NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 699896 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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