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
    3.9609   -0.0955   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8832   -0.8426   -0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391   -0.3698   -0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4743   -1.2584   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.8565   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1347    0.4589    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0818    1.3452    0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470    0.9461    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5147    0.8704    0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7348    2.0801    0.6907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6242   -0.0649    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8432    0.9565   -0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9607   -0.4862   -0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0398   -1.8980   -0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6649   -2.3201   -0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6340   -1.5878   -0.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127    2.3943    0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0226    1.7071    0.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5455   -0.6222   -0.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5959    0.4699    0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6397   -0.8265    1.1787 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