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
    4.0813    0.1890    0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9476   -0.4763   -0.0785 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553    0.0535    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6097    1.1191    0.7337 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4925   -0.6350   -0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6408   -1.7672   -1.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8478   -0.1211   -0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9469   -0.9815   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2203   -0.4885   -0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4711    0.8628    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4013    1.7199    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170    1.2268   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9832   -0.2353   -0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1615    0.0917    1.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0703    1.2704    0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331   -2.1685   -1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1763   -2.3085   -1.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7391   -2.0308   -0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0347   -1.1968   -0.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4909    1.1820    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450    2.7791    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2851    1.9153   -0.1125 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