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3638-64-0 molecular structure
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nitroethene

ChemBase ID: 130275
Molecular Formular: C2H3NO2
Molecular Mass: 73.05072
Monoisotopic Mass: 73.01637834
SMILES and InChIs

SMILES:
C=C[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)C=C
InChI:
InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2
InChIKey:
RPMXALUWKZHYOV-UHFFFAOYSA-N

Cite this record

CBID:130275 http://www.chembase.cn/molecule-130275.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nitroethene
IUPAC Traditional name
nitroethylene
Synonyms
Nitroethylene
CAS Number
3638-64-0
Beilstein Number
1209274
PubChem SID
162224554
PubChem CID
14436
77197
Chemspider ID
69627
Wikipedia Title
Nitroethylene

DATA SOURCES

DATA SOURCES

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.524209  LogD (pH = 7.4) 0.524209 
Log P 0.524209  Molar Refractivity 16.2798 cm3
Polarizability 6.173154 Å3 Polar Surface Area 45.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Solubility
soluble, 78.9 g L-1 in water expand Show data source
very soluble in ethanol, acetone, and benzene expand Show data source
Apperance
liquid expand Show data source
Melting Point
-55°C expand Show data source
Boiling Point
98.5°C expand Show data source
Flash Point
23.2°C expand Show data source
Density
1.073 g cm-3 expand Show data source
Vapor Pressure
45.8 mmHg expand Show data source
Partition Coefficient
-1.702 expand Show data source
Heat Capacity
73.7 J mol-1 K-1 expand Show data source
Std enthalpy of formation
56 kJ mol-1 expand Show data source
Std molar entropy
324 J mol-1 K-1 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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