3-Iodo-3-phenylprop-2-en-1-ol

HCID 53662855

Notes Reactions

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Basic information

CAS: 405233-99-0
Standard SMILES: OCC=C(I)c1ccccc1
InChIKey: AUNIPFJRJAYDJO-UHFFFAOYSA-N
Molecular formula: C9H9IO
Average molar mass: 260.07 g/mol
Monoisotopic mass: 259.96981

Names & identifiers

Preferred name: 3-Iodo-3-phenylprop-2-en-1-ol
IUPAC: 3-iodo-3-phenylprop-2-en-1-ol

Names & synonyms

405233-99-03-Iodo-3-phenylprop-2-en-1-olSCHEMBL3033675DTXSID30705773AUNIPFJRJAYDJO-UHFFFAOYSA-N3-Iodo-3-phenyl-prop-2-en-1-olDA-06089

Database identifiers

CAS: 405233-99-0
PubChem CID: 53662855
DTXSID: DTXSID30705773

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Related reactions

3 records

New reaction record

HRID 696979 reaction equation

HRID 696979As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1063416 reaction equation

HRID 1063416As productuspto-grants-2005_11

HRID 1063417 reaction equation

HRID 1063417As reactantuspto-grants-2005_11

Compound notes

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