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4282-24-0 molecular structure
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furan-2,3-dicarboxylic acid

ChemBase ID: 800844
Molecular Formular: C6H4O5
Molecular Mass: 156.09296
Monoisotopic Mass: 156.00587323
SMILES and InChIs

SMILES:
o1c(c(cc1)C(=O)O)C(=O)O
Canonical SMILES:
OC(=O)c1occc1C(=O)O
InChI:
InChI=1S/C6H4O5/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKey:
DNXDYHALMANNEJ-UHFFFAOYSA-N

Cite this record

CBID:800844 http://www.chembase.cn/molecule-800844.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
furan-2,3-dicarboxylic acid
IUPAC Traditional name
furan-2,3-dicarboxylic acid
Synonyms
Furan-2,3-dicarboxylic acid
CAS Number
4282-24-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O16906 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O16906 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.3952756  H Acceptors
H Donor LogD (pH = 5.5) -2.0214515 
LogD (pH = 7.4) -4.91066  Log P 0.34865826 
Molar Refractivity 32.9613 cm3 Polarizability 12.18497 Å3
Polar Surface Area 87.74 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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