1-Phenyl-1,5-hexanedione

HCID 238513
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Basic information

CAS
6303-82-8
Standard SMILES
CC(=O)CCCC(=O)c1ccccc1
InChIKey
SKIYUUSLSVEHAQ-UHFFFAOYSA-N
Molecular formula
C12H14O2
Average molar mass
190.24 g/mol
Monoisotopic mass
190.09937969

Names & identifiers

Preferred name
1-Phenyl-1,5-hexanedione
IUPAC
1-phenylhexane-1,5-dione

Names & synonyms

1-Phenyl-1,5-hexanedione6303-82-8DTXSID00285815RefChem:1056278DTXCID802369661-phenylhexane-1,5-dione5-benzoyl-2-pentanone1-phenyl-hexane-1,5-dioneNSC428901-Phenyl-hexa-1,5-dione1-Phenyl-1,5-hexanedione #SCHEMBL8675031
Show more names
NSC-42890DA-20881

Database identifiers

CAS
6303-82-8
PubChem CID
238513
DTXSID
DTXSID00285815
Nikkaji
J807.661H

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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