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
    3.9369    0.9240   -0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9778    0.2808   -0.1177 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5976    0.3759   -0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3161    1.0629   -1.3985 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6301   -0.3019    0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1176   -0.9880    1.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -0.2802    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6399   -1.2113    0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0234   -1.1949    0.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5709   -0.2076   -0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7887    0.7541   -0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4027    0.6842   -0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570    0.5697   -1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    0.6419   -0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    2.0320   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4803   -1.5086    2.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -1.0473    1.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2579   -2.0162    1.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6614   -1.9317    1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6488   -0.1383   -0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2289    1.5299   -1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8460    1.4570   -0.9799 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