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63970-76-3 molecular structure
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methyl (hydrazinecarbonyl)formate

ChemBase ID: 58770
Molecular Formular: C3H6N2O3
Molecular Mass: 118.09134
Monoisotopic Mass: 118.03784206
SMILES and InChIs

SMILES:
C(=O)(C(=O)OC)NN
Canonical SMILES:
NNC(=O)C(=O)OC
InChI:
InChI=1S/C3H6N2O3/c1-8-3(7)2(6)5-4/h4H2,1H3,(H,5,6)
InChIKey:
FJIXKJZGSRJXOZ-UHFFFAOYSA-N

Cite this record

CBID:58770 http://www.chembase.cn/molecule-58770.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (hydrazinecarbonyl)formate
IUPAC Traditional name
methyl (hydrazinecarbonyl)formate
Synonyms
Methyl hydrazino(oxo)acetate
methyl (hydrazinecarbonyl)formate
methyl 2-hydrazinyl-2-oxoacetate
CAS Number
63970-76-3
MDL Number
MFCD01597248
PubChem SID
162063533
PubChem CID
11355473

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.339895  H Acceptors
H Donor LogD (pH = 5.5) -0.9883513 
LogD (pH = 7.4) -0.9923385  Log P -0.98794246 
Molar Refractivity 25.514 cm3 Polarizability 9.849725 Å3
Polar Surface Area 81.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
115 - 117°C expand Show data source
Hydrophobicity(logP)
-1.605 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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