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
   -3.4592    0.3554   -1.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8829    0.8620   -0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5139    0.5480   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813    1.1376    1.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3193    0.8234    1.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050   -0.0295    0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5727   -0.6001   -0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315   -0.3002   -0.8532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4817   -0.3192    0.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9616    0.2139    2.0278 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2772   -1.2281    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9593   -0.3122   -2.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4982    0.6502   -1.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4219    1.5458    0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5779    1.8054    1.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7513    1.2785    2.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1555   -1.2816   -1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1176   -0.7764   -1.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3308   -1.2151    0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3457   -0.8940   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8429   -2.2639    0.2010 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