3,3-Diphenylpentanedial

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Basic information

CAS: 64516-58-1
Standard SMILES: O=CCC(CC=O)(c1ccccc1)c1ccccc1
InChIKey: PMQLXPTVUKLMJN-UHFFFAOYSA-N
Molecular formula: C17H16O2
Average molar mass: 252.31 g/mol
Monoisotopic mass: 252.11502975

Names & identifiers

Preferred name: 3,3-Diphenylpentanedial
IUPAC: 3,3-diphenylpentanedial

Names & synonyms

3,3-Diphenylpentanedial64516-58-1DTXSID70552248RefChem:270450DTXCID50503031Pentanedial, 3,3-diphenyl-3,3-DiphenylglutaraldehydeSCHEMBL6544164PMQLXPTVUKLMJN-UHFFFAOYSA-NDB-365709

Database identifiers

CAS: 64516-58-1
PubChem CID: 13905751
DTXSID: DTXSID70552248

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 256

Related reactions

2 records

New reaction record

HRID 1252148As productuspto-grants-1988_05

HRID 1252149As reactantuspto-grants-1988_05

Compound notes

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