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474534-40-2 molecular structure
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3-[2-(methoxymethoxy)benzoyl]pyridine

ChemBase ID: 306482
Molecular Formular: C14H13NO3
Molecular Mass: 243.25792
Monoisotopic Mass: 243.08954328
SMILES and InChIs

SMILES:
C(=O)(c1c(OCOC)cccc1)c1cnccc1
Canonical SMILES:
COCOc1ccccc1C(=O)c1cccnc1
InChI:
InChI=1S/C14H13NO3/c1-17-10-18-13-7-3-2-6-12(13)14(16)11-5-4-8-15-9-11/h2-9H,10H2,1H3
InChIKey:
PGDCMZBPSVKHPG-UHFFFAOYSA-N

Cite this record

CBID:306482 http://www.chembase.cn/molecule-306482.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[2-(methoxymethoxy)benzoyl]pyridine
IUPAC Traditional name
3-[2-(methoxymethoxy)benzoyl]pyridine
Synonyms
[2-(methoxymethoxy)phenyl](pyridin-3-yl)methanone
CAS Number
474534-40-2
MDL Number
MFCD09055149

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.114109  LogD (pH = 7.4) 2.120301 
Log P 2.1203806  Molar Refractivity 66.7928 cm3
Polarizability 26.12926 Å3 Polar Surface Area 48.42 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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