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
    3.9385   -0.0081    0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512   -0.7710    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5509   -0.3760    0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977    0.8515    0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1511    1.2243    0.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1520    0.3947    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7756   -0.8426   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5481   -1.2194   -0.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483    0.8194    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8352    1.9588    0.5237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6315   -0.0563   -0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8327    0.9953    0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9587   -0.3669    0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860   -1.7561   -0.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031    1.5798    0.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4465    2.2073    0.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5194   -1.5543   -0.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -2.1998   -0.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4615   -1.1303   -0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5829    0.2311    0.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.0188   -1.4634 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