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
   -3.5178   -0.2404   -1.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0630   -0.1180   -0.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398   -0.0521   -0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2064    0.0786    1.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1308    0.1471    1.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1086    0.0899    0.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6635   -0.0397   -0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6744   -0.1098   -1.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    0.1641    0.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8230    0.2823    2.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5781    0.1056   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8461   -0.2941   -2.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6000   -0.2873   -1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466   -0.0632    0.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9786    0.1250    1.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144    0.2502    2.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4406   -0.0852   -1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9315   -0.2109   -2.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7126    1.0937   -0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3047   -0.6355   -0.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5175   -0.2004    0.3144 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