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84447-15-4 molecular structure
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N-phenylhydroxylamine; oxalic acid

ChemBase ID: 111012
Molecular Formular: C8H9NO5
Molecular Mass: 199.16076
Monoisotopic Mass: 199.04807239
SMILES and InChIs

SMILES:
OC(=O)C(=O)O.ONc1ccccc1
Canonical SMILES:
OC(=O)C(=O)O.ONc1ccccc1
InChI:
InChI=1S/C6H7NO.C2H2O4/c8-7-6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5,7-8H;(H,3,4)(H,5,6)
InChIKey:
AERWWAYEYYMAPN-UHFFFAOYSA-N

Cite this record

CBID:111012 http://www.chembase.cn/molecule-111012.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-phenylhydroxylamine; oxalic acid
IUPAC Traditional name
oxalic acid; phenylhydroxylamine
Synonyms
N-PHENYLHYDROXYLAMINE OXALATE
CAS Number
84447-15-4
PubChem SID
162103225
PubChem CID
3069230

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05217398 external link Add to cart Please log in.
Data Source Data ID
PubChem 3069230 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 1.4815158 
LogD (pH = 7.4) 1.4815158  Log P 1.4815158 
Molar Refractivity 33.0452 cm3 Polarizability 12.076853 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 15.031734 
H Acceptors

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
119°C expand Show data source
RTECS
CY0878000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:22 expand Show data source
Safety Statements
S:36/37/39 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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