Monomers

Methyl 2-phenylacrylate

Identifiers

IUPAC name
methyl 2-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
GQTXKEVAUZYHGE-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)c1ccccc1
Canonical SMILES
COC(=O)C(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)C1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
1.8728
H Bond Acceptors
2
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

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.4938    1.1178    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1515    0.7150    0.1111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8132   -0.5886   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7970   -1.3932   -0.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4605   -1.1300   -0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3671   -2.4281   -0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7492   -0.3462   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9774   -0.8981    0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374   -0.1630    0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0983    1.1852    0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8967    1.7646   -0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7373    1.0167   -0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5859    2.0986    0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0165    0.3845    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0223    1.1065   -0.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5957   -2.8785   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181   -3.0862   -0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042   -1.9639    0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0610   -0.6587    0.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9806    1.7948    0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8580    2.8208   -0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1697    1.5299   -0.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers