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
    3.5802    0.5311   -0.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2156    0.3414   -0.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7127   -0.8282    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6134   -1.7239    0.2237 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3207   -1.1164    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -2.3152    0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7937   -0.2125    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5595    1.1367   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6261    2.0100   -0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9032    1.5326   -0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1738    0.1897   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1033   -0.6676    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744    1.6257   -0.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9089    0.0820   -1.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409    0.1009    0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9213   -2.6848    1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8615   -3.0122    0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4391    1.5490    0.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3895    3.0517   -0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7049    2.2507   -0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1925   -0.1310   -0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3337   -1.7099    0.1066 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