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
   -3.1237    0.9977    1.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9287    0.5240    0.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -0.4867   -0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9558   -1.0281   -0.6216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6050   -0.9100   -0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5849   -1.8690   -1.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6186   -0.2893   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6967   -0.2545   -1.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9225    0.2874   -0.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0528    0.8086    0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0159    0.7890    1.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7812    0.2369    0.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9641    0.7462    0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2380    0.5471    2.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0808    2.1029    1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3489   -2.2295   -2.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5365   -2.2991   -1.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5864   -0.6653   -2.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7505    0.3067   -1.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0005    1.2424    0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1170    1.2019    2.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    0.2405    1.7216 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