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
    3.0319    1.7890    1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8609    1.0877    0.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8501    0.1899   -0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9895    0.0456   -0.9627 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313   -0.5694   -0.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020   -1.3863   -1.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6147   -0.4761   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8474   -0.0148    0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0952    0.1111    1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2033   -0.2324    0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9967   -0.6924   -0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7389   -0.8182   -1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9291    2.8360    0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1562    1.7763    2.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187    1.3225    0.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282   -1.4187   -2.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269   -1.9898   -2.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0108    0.2642    1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2320    0.4740    2.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2167   -0.1495    1.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8633   -0.9668   -1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274   -1.1819   -2.0712 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