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
   -3.9237   -0.3429   -0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8401   -0.9481   -0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116   -0.4359   -0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2589    0.7236    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0349    1.1874    0.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    0.4896    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8993   -0.6835   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3843   -1.1246   -0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671    0.9702    0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379    2.0332    1.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6236    0.2078    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9564    0.5751    0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9175   -0.7561   -0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9352   -1.8678   -1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1037    1.2884    0.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460    2.1223    1.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512   -1.2384   -0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5444   -2.0301   -1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5638    0.4996    0.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4526   -0.8693    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6921    0.1995   -1.0881 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