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
    3.5558   -0.6139   -0.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1576   -0.4212   -0.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360    0.6664    0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    1.4538    0.8206 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3569    1.0020    0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1088    2.0741    1.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7413    0.1947    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224   -1.1247   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192   -1.8319   -0.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9489   -1.2313   -0.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0970    0.0703   -0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106    0.7552   -0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9877   -1.0819    0.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6926   -1.3488   -1.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0991    0.3215   -0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9424    2.6778    1.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8652    2.3930    1.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195   -1.6493   -0.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5831   -2.8640   -1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7891   -1.7844   -1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0797    0.5518   -0.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    1.7906    0.2435 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