HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

1-Propanone, 1-(2-ethenylphenyl)-

HCID 582989
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
52095-41-7
Standard SMILES
C=Cc1ccccc1C(=O)CC
InChIKey
WHHWFVIPLLAZAH-UHFFFAOYSA-N
Molecular formula
C11H12O
Average molar mass
160.21 g/mol
Monoisotopic mass
160.088815

Names & identifiers

Preferred name
1-Propanone, 1-(2-ethenylphenyl)-
IUPAC
1-(2-ethenylphenyl)propan-1-one

Names & synonyms

52095-41-71-Propanone, 1-(2-ethenylphenyl)-1-(2-ethenylphenyl)propan-1-one1-(2-Vinylphenyl)propan-1-oneSCHEMBL9720642DTXSID50342563WHHWFVIPLLAZAH-UHFFFAOYSA-N1-(2-Vinylphenyl)-1-propanone #

Database identifiers

CAS
52095-41-7
PubChem CID
582989
DTXSID
DTXSID50342563
Nikkaji
J842.690B

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
172

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes