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
    3.3297   -1.2084    0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0551   -0.6293    0.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241    0.7082   -0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8355    1.4775   -0.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4729    1.1932   -0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3001    2.4984   -0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693    0.3179   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509    0.9143    0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9868    0.1764    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9921   -1.1825    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8511   -1.7893   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013   -1.0250   -0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022   -2.3068    0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7729   -0.9539    1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9720   -0.7650   -0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1937    3.1025   -0.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6567    2.9793   -0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753    1.9806    0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8959    0.6387    0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743   -1.7773    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7842   -2.8325   -0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1797   -1.5169   -0.7087 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