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
    3.5338   -0.8765    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767   -0.4939   -0.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537    0.8046   -0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970    1.6622   -0.2912 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3642    1.2114   -0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1201    2.4916   -0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7396    0.2887   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9713    0.6327   -0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0599   -0.2117   -0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9139   -1.4098    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7122   -1.8021    0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6563   -0.9359    0.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0663   -0.4164    0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0426   -0.6252   -0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5377   -1.9855    0.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    3.2323   -0.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8881    2.8513   -0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1465    1.5837   -1.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0340    0.0624   -0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7787   -2.0816    0.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5960   -2.7638    1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2874   -1.2185    0.9527 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