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Compound
Methyl 5-diethoxyphosphoryl-2-formamido-2-methylpent-3-enoate
HCID
53799545
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Basic information
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Properties
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Basic information
Standard SMILES
CCOP(=O)(CC=CC(C)(NC=O)C(=O)OC)OCC
InChIKey
FHLBXLJGQVBTOC-UHFFFAOYSA-N
Molecular formula
C12H22NO6P
Average molar mass
307.28 g/mol
Names & identifiers
Preferred name
Methyl 5-diethoxyphosphoryl-2-formamido-2-methylpent-3-enoate
IUPAC
methyl 5-diethoxyphosphoryl-2-formamido-2-methylpent-3-enoate
Database identifiers
PubChem CID
53799545
Properties
Computed structural properties
XLogP
0.2
Topological polar surface area
90.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
20
Formal charge
0
Complexity
387
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HRID
136217
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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