Monomers

1-(4-Vinylphenyl)ethanone

Identifiers

IUPAC name
1-(4-ethenylphenyl)ethanone
InchI
InChI=1S/C10H10O/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H,1H2,2H3
InchI Key
HDXVSRDSYNPSAE-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O
Heavy Atom Count
11
Molecular Weight
146.189
Exact Molecular Weight
146.0732
Valence Electrons
56
Radical Electrons
0
tPSA
17.07
MolLogP
2.5322
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -3.9536   -0.1818   -0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9609    0.6596   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5634    0.2738    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5682    1.2331    0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7761    0.9269    0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1718   -0.3887    0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196   -1.3740   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1229   -1.0251   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5805   -0.7335    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026   -1.9405   -0.0195 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    0.3181    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9855    0.1535   -0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8262   -1.2524   -0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2002    1.7187    0.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560    2.2736    0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4964    1.7315    0.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4592   -2.4308   -0.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8736   -1.7946   -0.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3722    1.2336   -0.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6012   -0.0220   -0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7348    0.6211    1.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers