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38707-70-9 molecular structure
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quinoline-8-carbaldehyde

ChemBase ID: 14024
Molecular Formular: C10H7NO
Molecular Mass: 157.16868
Monoisotopic Mass: 157.05276385
SMILES and InChIs

SMILES:
c12c(cccc1C=O)cccn2
Canonical SMILES:
O=Cc1cccc2c1nccc2
InChI:
InChI=1S/C10H7NO/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1-7H
InChIKey:
OVZQVGZERAFSPI-UHFFFAOYSA-N

Cite this record

CBID:14024 http://www.chembase.cn/molecule-14024.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinoline-8-carbaldehyde
IUPAC Traditional name
quinoline-8-carbaldehyde
Synonyms
8-Formylquinoline
Quinoline-8-carboxaldehyde
8-quinolinecarbaldehyde
Quinoline-8-carboxaldehyde
Quinoline-8-carbaldehyde
喹啉-8-甲醛
CAS Number
38707-70-9
EC Number
000-000-0
MDL Number
MFCD00805837
Beilstein Number
113039
PubChem SID
160977331
PubChem CID
170103

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8409348  LogD (pH = 7.4) 1.8433716 
Log P 1.8434029  Molar Refractivity 46.5633 cm3
Polarizability 18.889261 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
92-94°C expand Show data source
92-94°C expand Show data source
93 - 95°C expand Show data source
Partition Coefficient
2.033 expand Show data source
Hydrophobicity(logP)
1.809 expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
Irritant/Air Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A 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
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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