Home > Compound List > Compound details
812642-68-5 molecular structure
click picture or here to close

2-(4-formyl-2,6-dimethoxyphenoxy)propanoic acid

ChemBase ID: 311734
Molecular Formular: C12H14O6
Molecular Mass: 254.23596
Monoisotopic Mass: 254.07903817
SMILES and InChIs

SMILES:
c1(OC(C(=O)O)C)c(cc(cc1OC)C=O)OC
Canonical SMILES:
COc1cc(C=O)cc(c1OC(C(=O)O)C)OC
InChI:
InChI=1S/C12H14O6/c1-7(12(14)15)18-11-9(16-2)4-8(6-13)5-10(11)17-3/h4-7H,1-3H3,(H,14,15)
InChIKey:
ZZTPVGFRGWPXEF-UHFFFAOYSA-N

Cite this record

CBID:311734 http://www.chembase.cn/molecule-311734.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-formyl-2,6-dimethoxyphenoxy)propanoic acid
IUPAC Traditional name
2-(4-formyl-2,6-dimethoxyphenoxy)propanoic acid
Synonyms
2-(4-formyl-2,6-dimethoxyphenoxy)propanoic acid
CAS Number
812642-68-5
MDL Number
MFCD05625237

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 6724716 external link Add to cart
Data Source Data ID Price
ChemBridge
6724716 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) -1.1752053  LogD (pH = 7.4) -2.211374 
Log P 1.2594819  Molar Refractivity 62.6101 cm3
Polarizability 24.093891 Å3 Polar Surface Area 82.06 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