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144824-63-5 molecular structure
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3-[4-(methoxymethoxy)benzoyl]pyridine

ChemBase ID: 306484
Molecular Formular: C14H13NO3
Molecular Mass: 243.25792
Monoisotopic Mass: 243.08954328
SMILES and InChIs

SMILES:
C(=O)(c1cnccc1)c1ccc(cc1)OCOC
Canonical SMILES:
COCOc1ccc(cc1)C(=O)c1cccnc1
InChI:
InChI=1S/C14H13NO3/c1-17-10-18-13-6-4-11(5-7-13)14(16)12-3-2-8-15-9-12/h2-9H,10H2,1H3
InChIKey:
PUHRWTMQUQEIEI-UHFFFAOYSA-N

Cite this record

CBID:306484 http://www.chembase.cn/molecule-306484.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[4-(methoxymethoxy)benzoyl]pyridine
IUPAC Traditional name
3-[4-(methoxymethoxy)benzoyl]pyridine
Synonyms
[4-(methoxymethoxy)phenyl](pyridin-3-yl)methanone
CAS Number
144824-63-5
MDL Number
MFCD09055151

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1137972  LogD (pH = 7.4) 2.120297 
Log P 2.1203806  Molar Refractivity 66.7928 cm3
Polarizability 26.127035 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

INTERNET

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