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Methyl 4-hydroxy-3-methylpent-2-enoate (HCID 568145)|Huagongshe
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Compound
Methyl 4-hydroxy-3-methylpent-2-enoate
HCID
568145
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Basic information
Standard SMILES
COC(=O)C=C(C)C(C)O
InChIKey
HIPRDLZWAASLOU-UHFFFAOYSA-N
Molecular formula
C7H12O3
Average molar mass
144.17 g/mol
Names & identifiers
Preferred name
Methyl 4-hydroxy-3-methylpent-2-enoate
IUPAC
methyl 4-hydroxy-3-methylpent-2-enoate
Names & synonyms
SCHEMBL6641352
Database identifiers
PubChem CID
568145
Properties
Computed structural properties
XLogP
0.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
10
Formal charge
0
Complexity
149
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Related reactions
1 records
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As solvent
HRID
101050
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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