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
    3.9207    0.1157   -0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8851    0.8746    0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5134    0.4103    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2472   -0.8971   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0797   -1.3386   -0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -0.4643    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8433    0.8431    0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4708    1.2705    0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5065   -0.9081    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7872   -2.1000   -0.2635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071    0.0116    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    0.5130   -0.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8607   -0.9427   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1187    1.9247    0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9858   -1.6485   -0.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190   -2.3582   -0.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6128    1.5555    0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475    2.3062    0.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8449    0.6945   -0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3322    0.6621    1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5501   -0.5242    0.5352 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