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
    4.0558    0.7762   -0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9728   -0.1136   -0.4829 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6807    0.2808   -0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5374    1.4242    0.2950 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5468   -0.5937   -0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7384   -1.8270   -0.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8230   -0.2459   -0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8894   -0.8508   -0.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2060   -0.5065   -0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4990    0.4215    0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4601    1.0134    1.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1427    0.6762    0.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2051    1.4339   -1.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    0.2540   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8479    1.4852    0.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7474   -2.1127   -1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0464   -2.5299   -1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020   -1.5750   -1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0328   -0.9837   -0.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5343    0.6730    0.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6531    1.7465    1.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3394    1.1539    1.4404 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