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
    3.5441    0.6591   -0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1701    0.3961   -0.3656 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7357   -0.7717    0.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -1.5663    0.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3458   -1.1123    0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1112   -2.2780    1.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7657   -0.2398    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674    0.7551   -0.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7629    1.5874   -1.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9599    1.4355   -0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0685    0.4476    0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016   -0.3759    0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0456   -0.3012   -0.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0052    1.0307    0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7085    1.4218   -1.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9659   -2.8849    1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8471   -2.6624    1.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2649    0.9060   -1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060    2.3570   -1.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7933    2.0669   -0.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9946    0.2714    1.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1021   -1.1421    1.5149 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