Home > Compound List > Compound details
213386-94-8 molecular structure
click picture or here to close

3-[3-(methoxymethoxy)benzoyl]pyridine

ChemBase ID: 306483
Molecular Formular: C14H13NO3
Molecular Mass: 243.25792
Monoisotopic Mass: 243.08954328
SMILES and InChIs

SMILES:
C(=O)(c1cc(OCOC)ccc1)c1cnccc1
Canonical SMILES:
COCOc1cccc(c1)C(=O)c1cccnc1
InChI:
InChI=1S/C14H13NO3/c1-17-10-18-13-6-2-4-11(8-13)14(16)12-5-3-7-15-9-12/h2-9H,10H2,1H3
InChIKey:
VSIKOBVZRYFUFG-UHFFFAOYSA-N

Cite this record

CBID:306483 http://www.chembase.cn/molecule-306483.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[3-(methoxymethoxy)benzoyl]pyridine
IUPAC Traditional name
3-[3-(methoxymethoxy)benzoyl]pyridine
Synonyms
[3-(methoxymethoxy)phenyl](pyridin-3-yl)methanone
CAS Number
213386-94-8
MDL Number
MFCD09055150

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4000101 external link Add to cart
Data Source Data ID Price
ChemBridge
4000101 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1138287  LogD (pH = 7.4) 2.1202974 
Log P 2.1203806  Molar Refractivity 66.7928 cm3
Polarizability 26.127522 Å3 Polar Surface Area 48.42 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle