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Molecule
ID:128307
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
CH₄O₂
Molecular Mass
48.04126
Exact Mass
48.02112937
Charge
0
InChI
InChI=1S/CH4O2/c2-1-3/h2-3H,1H2
InChIKey
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Canonic Smiles
OCO
Isomeric Smiles
OCO
Calculated Properties
JChem
Acid pKa
13.481529
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.0985781
LogD (pH = 7.4)
-1.0985785
Log P
-1.0985781
Molar Refractivity
9.3631
Polarizability
3.9234614
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
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General Information
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RDKit
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IUPAC name
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Data Source
Academic Data
PubChem
79015
Wikipedia
Methanediol
Names and Identifiers
IUPAC Traditional name
methylene glycol
IUPAC name
methanediol
Synonyms
Methanediol
Registration numbers
PubChem CID
79015
Beilstein Number
1730798
Chemspider ID
71348
CHEBI ID
48397
EC Number
207-339-5
Wikipedia Title
Methanediol
CAS Number
463-57-0
PubChem SID
162222615
Properties
Physical Property
Refractive Index
1.401
Source
Boiling Point
194°C (at 101 kPa)
Source
Apperance
Colourless liquid
Source
Flash Point
99.753 °C
Source
Vapor Pressure
16.1 Pa
Source
Density
1.199 g cm
-3
Source
Molecule Details
Wikipedia
Methanediol
References
PubChem Literature
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Bioactivity
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Registration numbers
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PubChem CID
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Beilstein Number
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Chemspider ID
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CHEBI ID
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EC Number
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CAS Number
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PubChem SID