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945-83-5 molecular structure
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2-propoxyquinoline

ChemBase ID: 291510
Molecular Formular: C12H13NO
Molecular Mass: 187.23772
Monoisotopic Mass: 187.09971404
SMILES and InChIs

SMILES:
CCCOc1nc2ccccc2cc1
Canonical SMILES:
CCCOc1ccc2c(n1)cccc2
InChI:
InChI=1S/C12H13NO/c1-2-9-14-12-8-7-10-5-3-4-6-11(10)13-12/h3-8H,2,9H2,1H3
InChIKey:
NNWTYSZJLCDUDC-UHFFFAOYSA-N

Cite this record

CBID:291510 http://www.chembase.cn/molecule-291510.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-propoxyquinoline
IUPAC Traditional name
2-propoxyquinoline
Synonyms
2-Propoxyquinoline
CAS Number
945-83-5
MDL Number
MFCD18783197
PubChem SID
180677041
PubChem CID
589339

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231409 Please log in.
Data Source Data ID
PubChem 589339 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.446729  LogD (pH = 7.4) 3.4470134 
Log P 3.4470172  Molar Refractivity 56.0286 cm3
Polarizability 23.213947 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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