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1-Methoxyethane-1,1-diolate

HCID 53630040
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(C)([O-])[O-]
InChIKey
VHTPUOLUDOQFJN-UHFFFAOYSA-N
Molecular formula
C3H6O3-2
Average molar mass
90.08 g/mol

Names & identifiers

Preferred name
1-Methoxyethane-1,1-diolate
IUPAC
1-methoxyethane-1,1-diolate

Names & synonyms

VHTPUOLUDOQFJN-UHFFFAOYSA-N

Database identifiers

PubChem CID
53630040

Properties

Computed structural propertiesFilling in

XLogP
1.4
Topological polar surface area
55.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
6
Formal charge
-2
Complexity
41.3

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Related reactions

16 records
New reaction record
HRID 117652 reaction equation
HRID 117652As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 146627 reaction equation
HRID 146627As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 373247 reaction equation
HRID 373247As reactantuspto-grants-1992_11
HRID 654532 reaction equation
HRID 654532As reactantuspto-grants-1992_07
HRID 658109 reaction equation
HRID 658109As reactantuspto-grants-2011_12
HRID 675242 reaction equation
HRID 675242As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 815272 reaction equation
HRID 815272As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 847434 reaction equation
HRID 847434As reactantuspto-grants-1992_08
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Compound notes

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