Home > Compound List > Compound details
88234-77-9 molecular structure
click picture or here to close

7-methoxy-1-benzofuran-2-carbaldehyde

ChemBase ID: 231650
Molecular Formular: C10H8O3
Molecular Mass: 176.16872
Monoisotopic Mass: 176.04734412
SMILES and InChIs

SMILES:
c12oc(cc1cccc2OC)C=O
Canonical SMILES:
COc1cccc2c1oc(c2)C=O
InChI:
InChI=1S/C10H8O3/c1-12-9-4-2-3-7-5-8(6-11)13-10(7)9/h2-6H,1H3
InChIKey:
ZVPJQWBKNUJXSY-UHFFFAOYSA-N

Cite this record

CBID:231650 http://www.chembase.cn/molecule-231650.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-1-benzofuran-2-carbaldehyde
IUPAC Traditional name
7-methoxy-1-benzofuran-2-carbaldehyde
Synonyms
7-Methoxy-benzofuran-2-carbaldehyde
CAS Number
88234-77-9
MDL Number
MFCD03984484
PubChem SID
164287560
PubChem CID
3457310

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-05536 external link Add to cart Please log in.
Data Source Data ID
PubChem 3457310 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6072015  LogD (pH = 7.4) 1.6072015 
Log P 1.6072015  Molar Refractivity 47.8238 cm3
Polarizability 19.128092 Å3 Polar Surface Area 39.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
45 - 47°C expand Show data source
Hydrophobicity(logP)
2.248 expand Show data source
Purity
95% expand Show data source

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