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
    3.1417    0.5283    1.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9582    0.2293    0.8576 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315   -0.6506   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8878   -1.2575   -0.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566   -0.8919   -0.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4696   -1.7469   -1.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473   -0.1951   -0.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6635    0.0607   -1.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7994    0.6895   -0.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9813    1.0800    0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0078    0.8408    1.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416    0.1997    0.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8085   -0.3392    1.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958    1.2925    0.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9120    1.0175    2.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4668   -1.9350   -2.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3307   -2.2864   -2.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5326   -0.2412   -2.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5917    0.8919   -1.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8863    1.5805    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0924    1.1294    2.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0816    0.0038    1.6330 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