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
    4.0300    0.9663    0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852    0.0270    0.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379    0.3761   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915    1.5959    0.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5753   -0.6058   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9696   -1.8803   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8291   -0.2716   -0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7554   -1.2416    0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0996   -0.9274    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5824    0.2883   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836    1.2434   -0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3279    0.9474   -0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8972    0.5137    0.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3850    1.2988   -0.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7157    1.9080    0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0202   -2.1725   -0.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2266   -2.6443   -0.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4886   -2.2281    0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8186   -1.6970    0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6313    0.5363   -0.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9804    2.2415   -0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6373    1.7258   -0.8680 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