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4363-44-4 molecular structure
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eth-1-ene-1,1,2,2-tetracarboxylic acid

ChemBase ID: 127344
Molecular Formular: C6H4O8
Molecular Mass: 204.09116
Monoisotopic Mass: 203.99061709
SMILES and InChIs

SMILES:
O=C(O)C(=C(C(=O)O)C(=O)O)C(=O)O
Canonical SMILES:
OC(=O)C(=C(C(=O)O)C(=O)O)C(=O)O
InChI:
InChI=1S/C6H4O8/c7-3(8)1(4(9)10)2(5(11)12)6(13)14/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)
InChIKey:
AIJZIRPGCQPZSL-UHFFFAOYSA-N

Cite this record

CBID:127344 http://www.chembase.cn/molecule-127344.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
eth-1-ene-1,1,2,2-tetracarboxylic acid
IUPAC Traditional name
ethylenetetracarboxylic acid
Synonyms
Ethylenetetracarboxylic acid
CAS Number
4363-44-4
PubChem SID
162221665
PubChem CID
12651152
Chemspider ID
11636515
Wikipedia Title
Ethylenetetracarboxylic_acid

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.297962  H Acceptors
H Donor LogD (pH = 5.5) -9.604256 
LogD (pH = 7.4) -14.296304  Log P -0.86642814 
Molar Refractivity 36.7556 cm3 Polarizability 14.308728 Å3
Polar Surface Area 149.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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