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
    3.3081    1.6521   -0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0431    1.0112   -0.2150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8848   -0.3505   -0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9827   -0.9943    0.0573 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339   -1.0811   -0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7054   -2.3950    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844   -0.4665   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8431    0.8215   -0.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930    1.4098   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281    0.7305   -0.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150   -0.5439   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8431   -1.1097    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    1.2387    0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1620    2.7426   -0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981    1.4426   -1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1574   -3.0114    0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6705   -2.8970    0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0131    1.3883   -1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1979    2.4279   -1.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1977    1.2123   -0.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9820   -1.1164    0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7986   -2.1118    0.5167 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