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Dimethylmalonat (HCID 6946994)|Huagongshe
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Compound
Dimethylmalonat
HCID
6946994
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(C)(C(=O)[O-])C(=O)[O-]
InChIKey
OREAFAJWWJHCOT-UHFFFAOYSA-L
Molecular formula
C5H6O4-2
Average molar mass
130.1 g/mol
Names & identifiers
Preferred name
Dimethylmalonat
IUPAC
2,2-dimethylpropanedioate
Names & synonyms
dimethylmalonat
OREAFAJWWJHCOT-UHFFFAOYSA-L
AKOS015907953
Database identifiers
PubChem CID
6946994
Properties
Computed structural properties
XLogP
1.7
Topological polar surface area
80.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
9
Formal charge
-2
Complexity
120
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Related reactions
46 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
44400
As reactant
uspto-grants-2013_09
HRID
44401
As reactant
uspto-grants-2013_09
HRID
130576
As reactant
uspto-grants-2008_06
HRID
130580
As reactant
uspto-grants-2008_06
HRID
319560
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
327799
As reactant
uspto-grants-1993_12
HRID
366553
As reactant
uspto-grants-2000_10
HRID
428246
As reactant
uspto-grants-2001_11
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