Methyl (3R)-4-cyano-3-hydroxybutanoate

HCID 10149003

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Basic information

Standard SMILES: COC(=O)C[C@H](O)CC#N
InChIKey: SSIBSMAGWANLAQ-RXMQYKEDSA-N
Molecular formula: C6H9NO3
Average molar mass: 143.14 g/mol
Monoisotopic mass: 143.05824315

Names & identifiers

Preferred name: Methyl (3R)-4-cyano-3-hydroxybutanoate
IUPAC: methyl (3R)-4-cyano-3-hydroxybutanoate

Names & synonyms

141942-84-9METHYL (3R)-4-CYANO-3-HYDROXYBUTANOATEButanoic acid, 4-cyano-3-hydroxy-, methyl ester, (3R)-SCHEMBL1406000SSIBSMAGWANLAQ-RXMQYKEDSA-NAKOS015909659(R)-4-cyano-3-hydroxybutyric acid methyl ester

Database identifiers

PubChem CID: 10149003
Nikkaji: J2.368.514K

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 70.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 158

Related reactions

1 records

New reaction record

HRID 1356575As productuspto-grants-2003_07

Compound notes

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