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
    2.1194    3.1931    1.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3973    2.0025    1.6478 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8694    1.2563    0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0927    1.7296   -0.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1446    0.0531    0.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411   -0.3509    2.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4324   -0.7329   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1239   -0.7480   -1.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4476   -1.4778   -2.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5974   -2.2087   -2.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -2.1872   -1.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5982   -1.4753    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096    3.2065    0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3705    4.0342    1.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8398    3.4112    2.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -1.2514    2.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3359    0.1915    2.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0506   -0.1849   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -1.4804   -3.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0162   -2.7656   -3.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0544   -2.7614   -0.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0357   -1.4535    1.0223 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