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
    3.5811   -0.6083    1.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0145   -0.5391    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5937   -0.2707   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7105   -0.0653    0.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6349    0.1861    0.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    0.2365   -0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2692    0.0352   -1.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0598   -0.2122   -1.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5373    0.5014   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9760    0.5458   -1.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4654    0.7193    0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205   -0.4695    2.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6336   -0.8086    1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6156   -0.6854   -0.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0853   -0.1028    1.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2699    0.3388    1.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6502    0.0731   -2.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276   -0.3703   -2.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4951    0.5592    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2903   -0.0495    1.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3289    1.7595    0.7572 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