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1113-38-8 molecular structure
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diammonium oxalate

ChemBase ID: 125833
Molecular Formular: C2H8N2O4
Molecular Mass: 124.09592
Monoisotopic Mass: 124.04840675
SMILES and InChIs

SMILES:
[O-]C(=O)C(=O)[O-].[NH4+].[NH4+]
Canonical SMILES:
[O-]C(=O)C(=O)[O-].[NH4+].[NH4+]
InChI:
InChI=1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3
InChIKey:
VBIXEXWLHSRNKB-UHFFFAOYSA-N

Cite this record

CBID:125833 http://www.chembase.cn/molecule-125833.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diammonium oxalate
IUPAC Traditional name
diammonium oxalate
Synonyms
Diammonium oxalate
Ammonium oxalate
CAS Number
1113-38-8
MDL Number
MFCD00013308
PubChem SID
162220178
PubChem CID
14213
13531065
Chemspider ID
13577
Wikipedia Title
Ammonium_oxalate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD114162 Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.3639908  H Acceptors
H Donor LogD (pH = 5.5) -5.101814 
LogD (pH = 7.4) -6.8848467  Log P -0.26375157 
Molar Refractivity 36.1128 cm3 Polarizability 5.6277657 Å3
Polar Surface Area 80.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
White solid expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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