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
    4.0170   -0.6223   -0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9352    0.2687   -0.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6481   -0.2338   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4872   -1.4638   -0.2430 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5382    0.6669   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7659    1.9627   -0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8282    0.1888   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7686    0.9906    0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0802    0.5964    0.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4620   -0.6020    0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931   -1.4303   -0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2604   -1.0021   -0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8701   -1.2480   -1.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1775   -1.2316    0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9390   -0.0177   -0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8148    2.2896   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160    2.6959    0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4545    1.9257    1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8140    1.2060    1.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4934   -0.9265    0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586   -2.3715   -0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640   -1.6416   -1.0761 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