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
    4.0686   -0.4269   -0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482    0.3476   -0.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283   -0.1460   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575   -1.3388   -0.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022    0.7024    0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6703    1.9406    0.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552    0.1786    0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8415    0.7102    0.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1153    0.2378    0.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4610   -0.7574   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4710   -1.2669   -0.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699   -0.7963   -0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796   -1.3158   -0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    0.1397   -0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5091   -0.8429    0.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720    2.3268    0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1456    2.5826    0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705    1.4997    1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9030    0.6415    1.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4806   -1.1268   -0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7033   -2.0415   -1.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397   -1.2483   -1.4424 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